4-[(Methylsulfonyl)amino]benzoic acid 4-甲磺酰氨基苯甲酸

CAS 7151-76-0 MFCD00025052

化学结构图

7151-76-0
SMILES: CS(=O)(=O)Nc1ccc(C(=O)O)cc1

化学属性

Mol. FormulaC8H9NO4S
Mol. Weight215.23
Melting Point119-121 °C
Boiling Point408.8±47.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-[(Methylsulfonyl)amino]benzoic acid
CAS Number7151-76-0
Alfabeta NameMETHYLSULFONYLAMINOBENZOICACID 4[]()-
MDL NumberMFCD00025052
Chemical Name Translation4-甲磺酰氨基苯甲酸
LabNetwork Molecule IDLN00135799
PubChem Substance ID250653
InChIInChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
Synonym 4-(Methylsulfonamido)benzoic acid {LY} 4-(Methylsulfonamido)benzoic acid {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Methylsulfonamido)benzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Canonical SMILESCS(=O)(NC1=CC=C(C(O)=O)C=C1)=O
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分类

  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
2
LogP
5.111999999999999e-001

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids

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