5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid

C12H12N2O4S — CID 43294353

IUPAC5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc[nH]c2)c(C(=O)O)c1
InChIInChI=1S/C12H12N2O4S/c1-8-2-3-11(10(6-8)12(15)16)14-19(17,18)9-4-5-13-7-9/h2-7,13-14H,1H3,(H,15,16)
InChIKeyBELVGPZJXZKKLD-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.82
Rot. Bonds4

About 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid

5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid (PubChem CID 43294353) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
PubChem CID43294353
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc[nH]c2)c(C(=O)O)c1
InChIInChI=1S/C12H12N2O4S/c1-8-2-3-11(10(6-8)12(15)16)14-19(17,18)9-4-5-13-7-9/h2-7,13-14H,1H3,(H,15,16)
InChIKeyBELVGPZJXZKKLD-UHFFFAOYSA-N
XLogP1.82
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
5-chloro-2-methoxy-4-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
CID 43614478
5-methyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoic acid
CID 47784387
2-[[5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 23378599
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
2-(methoxycarbonylsulfamoylamino)-5-methylbenzoic acid
CID 113343908
5-methyl-2-(2-methylpropylsulfonylamino)benzoic acid
CID 62999145
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid?
The IUPAC name of 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid (CID 43294353) is 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid?
The canonical SMILES for 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid is Cc1ccc(NS(=O)(=O)c2cc[nH]c2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid?
The InChIKey is BELVGPZJXZKKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-8-2-3-11(10(6-8)12(15)16)14-19(17,18)9-4-5-13-7-9/h2-7,13-14H,1H3,(H,15,16).
What are the key properties of 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid?
5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid has a molecular weight of 280.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 43294353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).