4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid

C13H11ClN2O4S — CID 63327821

IUPAC4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1ccncc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C13H11ClN2O4S/c1-8-4-5-15-7-11(8)16-21(19,20)12-6-9(13(17)18)2-3-10(12)14/h2-7,16H,1H3,(H,17,18)
InChIKeyJEJDAGGZTJLHCO-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.54
Rot. Bonds4

About 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid

4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 63327821) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid
PubChem CID63327821
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1ccncc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl
InChIInChI=1S/C13H11ClN2O4S/c1-8-4-5-15-7-11(8)16-21(19,20)12-6-9(13(17)18)2-3-10(12)14/h2-7,16H,1H3,(H,17,18)
InChIKeyJEJDAGGZTJLHCO-UHFFFAOYSA-N
XLogP2.54
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(3-fluoro-4-pyridinyl)sulfamoyl]benzoic acid
CID 107594770
4-methyl-3-[(3-methyl-4-pyridinyl)sulfamoyl]benzoic acid
CID 63669848
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
5-bromo-4-[(4-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327256
3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
CID 32673907
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide
CID 2226277
4-chloro-3-[(4-ethyl-1H-pyrazol-5-yl)sulfamoyl]benzoic acid
CID 104617667
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
4-chloro-3-[(2-methoxy-5-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 100820520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid (CID 63327821) is 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid is Cc1ccncc1NS(=O)(=O)c1cc(C(=O)O)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is JEJDAGGZTJLHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-8-4-5-15-7-11(8)16-21(19,20)12-6-9(13(17)18)2-3-10(12)14/h2-7,16H,1H3,(H,17,18).
What are the key properties of 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid?
4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 326.76 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 63327821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).