4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C13H14N2O4S — CID 16780372

IUPAC4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(C)c(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1
InChIInChI=1S/C13H14N2O4S/c1-8-3-4-9(2)11(5-8)15-20(18,19)10-6-12(13(16)17)14-7-10/h3-7,14-15H,1-2H3,(H,16,17)
InChIKeyWHPNWWJUPOMEEQ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.13
Rot. Bonds4

About 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 16780372) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID16780372
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(C)c(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1
InChIInChI=1S/C13H14N2O4S/c1-8-3-4-9(2)11(5-8)15-20(18,19)10-6-12(13(16)17)14-7-10/h3-7,14-15H,1-2H3,(H,16,17)
InChIKeyWHPNWWJUPOMEEQ-UHFFFAOYSA-N
XLogP2.13
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
4-[(3-hydroxy-2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714669
4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 63672039
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714614
4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 104937748
4-[(4-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780350
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
4-[(2-bromo-5-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62732887
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361749
4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79090564

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 16780372) is 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is Cc1ccc(C)c(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is WHPNWWJUPOMEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-8-3-4-9(2)11(5-8)15-20(18,19)10-6-12(13(16)17)14-7-10/h3-7,14-15H,1-2H3,(H,16,17).
What are the key properties of 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 16780372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).