4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H11BrN2O4S — CID 104937748

IUPAC4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(Br)cc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1
InChIInChI=1S/C12H11BrN2O4S/c1-7-2-8(13)4-9(3-7)15-20(18,19)10-5-11(12(16)17)14-6-10/h2-6,14-15H,1H3,(H,16,17)
InChIKeyIAVHSNCYHHFIEC-UHFFFAOYSA-N
MW359.20 g/mol
LogP2.58
Rot. Bonds4

About 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 104937748) has the molecular formula C12H11BrN2O4S and a molecular weight of 359.20 g/mol. Its IUPAC name is 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID104937748
Molecular FormulaC12H11BrN2O4S
Molecular Weight359.20 g/mol
Exact Mass357.96
IUPAC Name4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1cc(Br)cc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1
InChIInChI=1S/C12H11BrN2O4S/c1-7-2-8(13)4-9(3-7)15-20(18,19)10-5-11(12(16)17)14-6-10/h2-6,14-15H,1H3,(H,16,17)
InChIKeyIAVHSNCYHHFIEC-UHFFFAOYSA-N
XLogP2.58
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65467761
4-[(3,5-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 29051788
4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780372
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361762
4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 28525667
methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 20914906
4-[(3-chloro-4-hydroxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 103930783
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
4-[[3-(methoxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701071
4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43712120

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 104937748) is 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is Cc1cc(Br)cc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1.
What is the InChIKey of 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is IAVHSNCYHHFIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4S/c1-7-2-8(13)4-9(3-7)15-20(18,19)10-5-11(12(16)17)14-6-10/h2-6,14-15H,1H3,(H,16,17).
What are the key properties of 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 359.20 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 104937748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).