2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid

C12H13N3O4S — CID 61275775

IUPAC2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc(C(=O)O)c1C
InChIInChI=1S/C12H13N3O4S/c1-7-9(12(16)17)4-3-5-10(7)15-20(18,19)11-6-13-14-8(11)2/h3-6,15H,1-2H3,(H,13,14)(H,16,17)
InChIKeyVQPPCAXTLVYTRX-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.53
Rot. Bonds4

About 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid

2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid (PubChem CID 61275775) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
PubChem CID61275775
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
SMILESCc1[nH]ncc1S(=O)(=O)Nc1cccc(C(=O)O)c1C
InChIInChI=1S/C12H13N3O4S/c1-7-9(12(16)17)4-3-5-10(7)15-20(18,19)11-6-13-14-8(11)2/h3-6,15H,1-2H3,(H,13,14)(H,16,17)
InChIKeyVQPPCAXTLVYTRX-UHFFFAOYSA-N
XLogP1.53
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 80583821
4-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 60910950
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 166178665
3-(isoquinolin-5-ylsulfonylamino)-2-methylbenzoic acid
CID 131962177
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814332
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
3-[(3,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 60603862
N-[2-(1-chloroethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65031617
N-(2-cyanophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930145
N-isoquinolin-5-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911353
2-methyl-3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 61275975
5-methyl-N-[2-(methylaminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60910701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid (CID 61275775) is 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid is Cc1[nH]ncc1S(=O)(=O)Nc1cccc(C(=O)O)c1C.
What is the InChIKey of 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
The InChIKey is VQPPCAXTLVYTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-7-9(12(16)17)4-3-5-10(7)15-20(18,19)11-6-13-14-8(11)2/h3-6,15H,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid?
2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid has a molecular weight of 295.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 61275775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).