3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid

C11H11N3O4S — CID 54937391

IUPAC3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
SMILESCc1cc(C(=O)O)ccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H11N3O4S/c1-7-4-8(11(15)16)2-3-10(7)14-19(17,18)9-5-12-13-6-9/h2-6,14H,1H3,(H,12,13)(H,15,16)
InChIKeyUIHLHRFFRVXLLC-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.22
Rot. Bonds4

About 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid

3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid (PubChem CID 54937391) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
PubChem CID54937391
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
SMILESCc1cc(C(=O)O)ccc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H11N3O4S/c1-7-4-8(11(15)16)2-3-10(7)14-19(17,18)9-5-12-13-6-9/h2-6,14H,1H3,(H,12,13)(H,15,16)
InChIKeyUIHLHRFFRVXLLC-UHFFFAOYSA-N
XLogP1.22
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267972
5-(1H-pyrazol-4-ylsulfonylamino)benzene-1,3-dicarboxylic acid
CID 60916897
N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54937299
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
methyl 4-propan-2-yloxy-3-(1H-pyrazol-4-ylsulfonylamino)benzoate
CID 51098554
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
4-(dimethylsulfamoylamino)-3-methylbenzoic acid
CID 28787969
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
The IUPAC name of 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid (CID 54937391) is 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid is Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
The InChIKey is UIHLHRFFRVXLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-7-4-8(11(15)16)2-3-10(7)14-19(17,18)9-5-12-13-6-9/h2-6,14H,1H3,(H,12,13)(H,15,16).
What are the key properties of 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid?
3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid has a molecular weight of 281.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 54937391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).