4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide

C19H18N2O2S — CID 136791307

IUPAC4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(Cc2ccccc2)c2ccc[nH]2)cc1
InChIInChI=1S/C19H18N2O2S/c1-15-9-11-17(12-10-15)24(22,23)21-19(18-8-5-13-20-18)14-16-6-3-2-4-7-16/h2-13,20H,14H2,1H3
InChIKeyAGSQBQZSZVKOOV-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.74
Rot. Bonds5

About 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide

4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide (PubChem CID 136791307) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide
PubChem CID136791307
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(Cc2ccccc2)c2ccc[nH]2)cc1
InChIInChI=1S/C19H18N2O2S/c1-15-9-11-17(12-10-15)24(22,23)21-19(18-8-5-13-20-18)14-16-6-3-2-4-7-16/h2-13,20H,14H2,1H3
InChIKeyAGSQBQZSZVKOOV-UHFFFAOYSA-N
XLogP3.74
TPSA62.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide
CID 137288067
N'-(4-methylphenyl)sulfonyl-2-phenyl-N,N-di(propan-2-yl)ethanimidamide
CID 46225391
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
CID 134847359
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
(NE)-N-[1-[(2S,3R)-2-benzoyl-3-(2-chlorophenyl)aziridin-1-yl]-2-phenylethylidene]-4-methylbenzenesulfonamide
CID 24777726
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide (CID 136791307) is 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(Cc2ccccc2)c2ccc[nH]2)cc1.
What is the InChIKey of 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide?
The InChIKey is AGSQBQZSZVKOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-15-9-11-17(12-10-15)24(22,23)21-19(18-8-5-13-20-18)14-16-6-3-2-4-7-16/h2-13,20H,14H2,1H3.
What are the key properties of 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide?
4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide has a molecular weight of 338.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide is sourced from PubChem (CID 136791307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).