1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide

C18H17ClN2O4S2 — CID 17247709

IUPAC1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O4S2/c1-13-12-18(26(22,23)20-16-10-8-15(19)9-11-16)14(2)21(13)27(24,25)17-6-4-3-5-7-17/h3-12,20H,1-2H3
InChIKeyWFHPLAWGFDKBJS-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.80
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide

1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide (PubChem CID 17247709) has the molecular formula C18H17ClN2O4S2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
PubChem CID17247709
Molecular FormulaC18H17ClN2O4S2
Molecular Weight424.93 g/mol
Exact Mass424.03
IUPAC Name1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O4S2/c1-13-12-18(26(22,23)20-16-10-8-15(19)9-11-16)14(2)21(13)27(24,25)17-6-4-3-5-7-17/h3-12,20H,1-2H3
InChIKeyWFHPLAWGFDKBJS-UHFFFAOYSA-N
XLogP3.80
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 17247694
1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
CID 17247707
1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide
CID 17247768
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22202650
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzenesulfonamide
CID 112982611
4-chloro-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 4289928
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide (CID 17247709) is 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c(C)n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The InChIKey is WFHPLAWGFDKBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S2/c1-13-12-18(26(22,23)20-16-10-8-15(19)9-11-16)14(2)21(13)27(24,25)17-6-4-3-5-7-17/h3-12,20H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide has a molecular weight of 424.93 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 17247709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).