4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide

C13H14ClN3O3S — CID 71929517

IUPAC4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C13H14ClN3O3S/c1-8-3-4-10(17-21(2,19)20)11(5-8)16-13(18)12-6-9(14)7-15-12/h3-7,15,17H,1-2H3,(H,16,18)
InChIKeyRETZOBOWJARFBQ-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.60
Rot. Bonds4

About 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide (PubChem CID 71929517) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide
PubChem CID71929517
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc(Cl)c[nH]2)c1
InChIInChI=1S/C13H14ClN3O3S/c1-8-3-4-10(17-21(2,19)20)11(5-8)16-13(18)12-6-9(14)7-15-12/h3-7,15,17H,1-2H3,(H,16,18)
InChIKeyRETZOBOWJARFBQ-UHFFFAOYSA-N
XLogP2.60
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
N-(2-fluoro-5-methylphenyl)methanesulfonamide
CID 3847750
4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34967132
N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-(methylamino)propanamide
CID 119802651
4-chloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18127990
4-bromo-N-(2-hydroxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 18109016
2-[[2-(methanesulfonamido)-5-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119186489
N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 849290
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 122158577
5-chloro-2-(methanesulfonamido)-N-(3-methylphenyl)benzamide
CID 49191937
N-[[2-(methanesulfonamido)-4-methylphenyl]carbamothioyl]benzamide
CID 134113825
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
CID 115630356

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide (CID 71929517) is 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide is Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cc(Cl)c[nH]2)c1.
What is the InChIKey of 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RETZOBOWJARFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-8-3-4-10(17-21(2,19)20)11(5-8)16-13(18)12-6-9(14)7-15-12/h3-7,15,17H,1-2H3,(H,16,18).
What are the key properties of 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 327.79 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71929517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).