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

C13H11ClN2O4S — CID 28519051

IUPAC2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)nc1
InChIInChI=1S/C13H11ClN2O4S/c1-8-2-5-12(15-7-8)16-21(19,20)9-3-4-11(14)10(6-9)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyNYEZJTGBIQIYFV-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.54
Rot. Bonds4

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

2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 28519051) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
PubChem CID28519051
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)nc1
InChIInChI=1S/C13H11ClN2O4S/c1-8-2-5-12(15-7-8)16-21(19,20)9-3-4-11(14)10(6-9)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyNYEZJTGBIQIYFV-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

2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794803
3-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 2542050
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
2-chloro-4-[(5-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 107090141
2-chloro-5-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 16573409
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116
2-chloro-5-(dimethylaminosulfamoyl)benzoic acid
CID 83004774
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
2-chloro-5-[(6-fluoro-2-pyridinyl)sulfamoyl]benzoic acid
CID 116812704
2-chloro-5-[(6-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoic acid
CID 39855236
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid (CID 28519051) is 2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)nc1.
What is the InChIKey of 2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is NYEZJTGBIQIYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-8-2-5-12(15-7-8)16-21(19,20)9-3-4-11(14)10(6-9)13(17)18/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
2-chloro-5-[(5-methyl-2-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 2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 28519051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).