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

C25H24N2O4S2 — CID 17247768

IUPAC1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H24N2O4S2/c1-19-18-24(20(2)27(19)33(30,31)23-16-10-5-11-17-23)32(28,29)26-25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-18,25-26H,1-2H3
InChIKeyWWFFKGCIAPOSPC-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.41
Rot. Bonds7

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

1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide (PubChem CID 17247768) has the molecular formula C25H24N2O4S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide
PubChem CID17247768
Molecular FormulaC25H24N2O4S2
Molecular Weight480.61 g/mol
Exact Mass480.12
IUPAC Name1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H24N2O4S2/c1-19-18-24(20(2)27(19)33(30,31)23-16-10-5-11-17-23)32(28,29)26-25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-18,25-26H,1-2H3
InChIKeyWWFFKGCIAPOSPC-UHFFFAOYSA-N
XLogP4.41
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pentyl-N-[2-(2-phenyl-1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825402
4-tert-butyl-N-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 672067
4-[1-(Benzenesulfonyl)indol-2-yl]benzenesulfonamide
CID 127037881
JCF-177 free base
CID 6918748
(9-Benzenesulfonyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)dimethylamine
CID 16222448
N,N-dimethyl-9-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 16222450
1-(Cyclohexylmethyl)-5-(3,5-di-tert-butylphenyl)-2-methyl-1H-pyrrole-3-sulfonamide
CID 66554786
N-Methyl-1-{1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrol-3-yl}methanamine
CID 66561648
N-Methyl-1-(5-phenyl-1-(phenylsulfonyl)-1H-pyrrol-3-yl)methanamine
CID 66924739
1-[1-(benzenesulfonyl)-4-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine
CID 66924842
1-[1-(benzenesulfonyl)-2-chloro-5-phenylpyrrol-3-yl]-N-methylmethanamine
CID 66924857
1-[1-(benzenesulfonyl)-5-butylpyrrol-3-yl]-N-methylmethanamine
CID 66925027

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide (CID 17247768) is 1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide is Cc1cc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(C)n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide?
The InChIKey is WWFFKGCIAPOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S2/c1-19-18-24(20(2)27(19)33(30,31)23-16-10-5-11-17-23)32(28,29)26-25(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-18,25-26H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide?
1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide has a molecular weight of 480.61 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-benzhydryl-2,5-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 17247768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).