4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid

C12H9ClN2O4S — CID 6463370

IUPAC4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C12H9ClN2O4S/c13-9-3-6-11(14-7-9)15-20(18,19)10-4-1-8(2-5-10)12(16)17/h1-7H,(H,14,15)(H,16,17)
InChIKeySHBNUAVUZCYDRF-UHFFFAOYSA-N
MW312.73 g/mol
LogP2.23
Rot. Bonds4

About 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid

4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 6463370) has the molecular formula C12H9ClN2O4S and a molecular weight of 312.73 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
PubChem CID6463370
Molecular FormulaC12H9ClN2O4S
Molecular Weight312.73 g/mol
Exact Mass312.00
IUPAC Name4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C12H9ClN2O4S/c13-9-3-6-11(14-7-9)15-20(18,19)10-4-1-8(2-5-10)12(16)17/h1-7H,(H,14,15)(H,16,17)
InChIKeySHBNUAVUZCYDRF-UHFFFAOYSA-N
XLogP2.23
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2-pyridinyl)sulfamoyl]benzenecarbothioamide
CID 28893727
6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61317579
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
4-[(5-chloro-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 27243480
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
N-(5-chloro-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 19683191
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
CID 82343403
3-chloro-N-(5-chloro-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 115619551
4-[(5-chloro-2-pyridinyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106919996
4-[[4-(pyridin-2-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid
CID 4918646
6-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319210

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid (CID 6463370) is 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is SHBNUAVUZCYDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4S/c13-9-3-6-11(14-7-9)15-20(18,19)10-4-1-8(2-5-10)12(16)17/h1-7H,(H,14,15)(H,16,17).
What are the key properties of 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid?
4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 312.73 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 6463370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).