1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide

C19H20N2O4S2 — CID 17247694

IUPAC1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C19H20N2O4S2/c1-14-9-11-17(12-10-14)20-26(22,23)19-13-15(2)21(16(19)3)27(24,25)18-7-5-4-6-8-18/h4-13,20H,1-3H3
InChIKeyCLJIZMNJIFRBHL-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.45
Rot. Bonds5

About 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide

1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide (PubChem CID 17247694) has the molecular formula C19H20N2O4S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
PubChem CID17247694
Molecular FormulaC19H20N2O4S2
Molecular Weight404.51 g/mol
Exact Mass404.09
IUPAC Name1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1
InChIInChI=1S/C19H20N2O4S2/c1-14-9-11-17(12-10-14)20-26(22,23)19-13-15(2)21(16(19)3)27(24,25)18-7-5-4-6-8-18/h4-13,20H,1-3H3
InChIKeyCLJIZMNJIFRBHL-UHFFFAOYSA-N
XLogP3.45
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.45
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)-N-(2-chlorophenyl)-2,5-dimethylpyrrole-3-sulfonamide
CID 17247707
1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide
CID 17247768
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
4-(benzenesulfonamido)-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 3385972
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(4-methylphenyl)-2-[[2-[(4-methylphenyl)sulfamoyl]phenyl]diselanyl]benzenesulfonamide
CID 10580102
1-N-methyl-3-N-(4-methylphenyl)benzene-1,3-disulfonamide
CID 49186392
2-hydroxy-4-methyl-N-phenylbenzenesulfonamide
CID 173356701
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide (CID 17247694) is 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(C)n(S(=O)(=O)c3ccccc3)c2C)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide?
The InChIKey is CLJIZMNJIFRBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S2/c1-14-9-11-17(12-10-14)20-26(22,23)19-13-15(2)21(16(19)3)27(24,25)18-7-5-4-6-8-18/h4-13,20H,1-3H3.
What are the key properties of 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide?
1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide has a molecular weight of 404.51 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 17247694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).