4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

C13H13ClN2O4S — CID 30059495

IUPAC4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C13H13ClN2O4S/c1-8-3-4-9(14)5-11(8)15-21(19,20)10-6-12(13(17)18)16(2)7-10/h3-7,15H,1-2H3,(H,17,18)
InChIKeyHHRWYSJRDYHVJE-UHFFFAOYSA-N
MW328.78 g/mol
LogP2.49
Rot. Bonds4

About 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 30059495) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID30059495
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C13H13ClN2O4S/c1-8-3-4-9(14)5-11(8)15-21(19,20)10-6-12(13(17)18)16(2)7-10/h3-7,15H,1-2H3,(H,17,18)
InChIKeyHHRWYSJRDYHVJE-UHFFFAOYSA-N
XLogP2.49
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloro-2-fluorophenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43132318
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
4-[(4-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 83165045
4-[(2-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 43245095
4-[(2-bromo-5-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 82711529
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
N-(5-chloro-2-methylphenyl)-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138700
4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 79735958
N-(5-chloro-2-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063322
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 30059495) is 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is HHRWYSJRDYHVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-8-3-4-9(14)5-11(8)15-21(19,20)10-6-12(13(17)18)16(2)7-10/h3-7,15H,1-2H3,(H,17,18).
What are the key properties of 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 328.78 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 30059495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).