N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide

C15H14ClNO2S — CID 178184329

IUPACN-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CCl)c2ccccc2)cc1
InChIInChI=1S/C15H14ClNO2S/c1-12-7-9-14(10-8-12)20(18,19)17-15(11-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyYPLOHGGHLLIXFN-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.41
Rot. Bonds4

About N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide

N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide (PubChem CID 178184329) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
PubChem CID178184329
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=C(CCl)c2ccccc2)cc1
InChIInChI=1S/C15H14ClNO2S/c1-12-7-9-14(10-8-12)20(18,19)17-15(11-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyYPLOHGGHLLIXFN-UHFFFAOYSA-N
XLogP3.41
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N'-(4-methylphenyl)sulfonyl-N-[4-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]iminocyclohexa-2,5-dien-1-ylidene]benzenecarboximidamide
CID 75408906
(NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide
CID 134997731
(NE)-4-methyl-N-[1-(3-methyl-1H-pyrrol-2-yl)-2-phenylethylidene]benzenesulfonamide
CID 137288067
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
(4-methylphenyl) N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305333
4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263
4-methyl-N-[2-phenyl-1-(1H-pyrrol-2-yl)ethylidene]benzenesulfonamide
CID 136791307
N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 11835108

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide (CID 178184329) is N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=C(CCl)c2ccccc2)cc1.
What is the InChIKey of N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide?
The InChIKey is YPLOHGGHLLIXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-12-7-9-14(10-8-12)20(18,19)17-15(11-16)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide?
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide has a molecular weight of 307.80 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 178184329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).