2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid

C11H10ClN3O4S — CID 115641165

IUPAC2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
SMILESCn1nccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C11H10ClN3O4S/c1-15-9(5-6-13-15)20(18,19)14-8-4-2-3-7(12)10(8)11(16)17/h2-6,14H,1H3,(H,16,17)
InChIKeyHBKUBXAWCOLTKJ-UHFFFAOYSA-N
MW315.74 g/mol
LogP1.57
Rot. Bonds4

About 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid

2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid (PubChem CID 115641165) has the molecular formula C11H10ClN3O4S and a molecular weight of 315.74 g/mol. Its IUPAC name is 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
PubChem CID115641165
Molecular FormulaC11H10ClN3O4S
Molecular Weight315.74 g/mol
Exact Mass315.01
IUPAC Name2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid
SMILESCn1nccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C11H10ClN3O4S/c1-15-9(5-6-13-15)20(18,19)14-8-4-2-3-7(12)10(8)11(16)17/h2-6,14H,1H3,(H,16,17)
InChIKeyHBKUBXAWCOLTKJ-UHFFFAOYSA-N
XLogP1.57
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-hydroxyphenyl)-2-methylpyrazole-3-sulfonamide
CID 115643661
5-methyl-3-[(2-methylpyrazol-3-yl)sulfonylamino]-1H-pyrrole-2-carboxylic acid
CID 113483146
N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 104821297
1-methyl-5-[(2-methylpyrazol-3-yl)sulfonylamino]pyrazole-4-carboxylic acid
CID 113443879
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 107266789
N-(5-chloro-2-hydroxy-3-methylphenyl)-2-methylpyrazole-3-sulfonamide
CID 115663120
N-[2-(1-aminoethyl)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709797
N-(5-chloro-2-cyanophenyl)-2-methylpyrazole-3-sulfonamide
CID 104625509
2-chloro-6-(cyclohexylsulfonylamino)benzoic acid
CID 63724305
N-[2-(2-aminoethoxy)phenyl]-2-methylpyrazole-3-sulfonamide
CID 104709269
2-[(2-methylpyrazol-3-yl)sulfonylamino]oxyacetic acid
CID 104709642
2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128180

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid (CID 115641165) is 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid is Cn1nccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid?
The InChIKey is HBKUBXAWCOLTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S/c1-15-9(5-6-13-15)20(18,19)14-8-4-2-3-7(12)10(8)11(16)17/h2-6,14H,1H3,(H,16,17).
What are the key properties of 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid?
2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid has a molecular weight of 315.74 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methylpyrazol-3-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 115641165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).