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

C18H17ClN2O4S2 — CID 17247707

IUPAC1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2Cl)c(C)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O4S2/c1-13-12-18(26(22,23)20-17-11-7-6-10-16(17)19)14(2)21(13)27(24,25)15-8-4-3-5-9-15/h3-12,20H,1-2H3
InChIKeyVTTJZTXZNGFCSO-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.80
Rot. Bonds5

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

1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide (PubChem CID 17247707) has the molecular formula C18H17ClN2O4S2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
PubChem CID17247707
Molecular FormulaC18H17ClN2O4S2
Molecular Weight424.93 g/mol
Exact Mass424.03
IUPAC Name1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2Cl)c(C)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17ClN2O4S2/c1-13-12-18(26(22,23)20-17-11-7-6-10-16(17)19)14(2)21(13)27(24,25)15-8-4-3-5-9-15/h3-12,20H,1-2H3
InChIKeyVTTJZTXZNGFCSO-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)-N-(4-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
CID 17247709
1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 17247694
1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide
CID 17247768
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 1318754
N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282465
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide (CID 17247707) is 1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2Cl)c(C)n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
The InChIKey is VTTJZTXZNGFCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S2/c1-13-12-18(26(22,23)20-17-11-7-6-10-16(17)19)14(2)21(13)27(24,25)15-8-4-3-5-9-15/h3-12,20H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide?
1-(benzenesulfonyl)-N-(2-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-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 17247707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).