N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide

C15H14ClNO2S — CID 74345526

IUPACN-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
SMILESCC(=NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-11-3-9-15(10-4-11)20(18,19)17-12(2)13-5-7-14(16)8-6-13/h3-10H,1-2H3
InChIKeyXZTVCUVJIYNHHD-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.85
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide

N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide (PubChem CID 74345526) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
PubChem CID74345526
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC NameN-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
SMILESCC(=NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2S/c1-11-3-9-15(10-4-11)20(18,19)17-12(2)13-5-7-14(16)8-6-13/h3-10H,1-2H3
InChIKeyXZTVCUVJIYNHHD-UHFFFAOYSA-N
XLogP3.85
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
N-[bis(4-methylphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 139198570
(4-methylphenyl) N-(4-chlorophenyl)sulfonylbenzenecarboximidothioate
CID 2305333
2-[1-(4-chlorophenyl)ethylideneamino]oxy-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]acetamide
CID 2821278
1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
CID 141461209
1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
(NE)-N-[(3-chlorophenyl)-phenylmethylidene]-4-methylbenzenesulfonamide
CID 134997731
4-methyl-N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)benzenecarboximidamide
CID 134878749
(NE)-N-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethylidene]hydroxylamine
CID 134852362
4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2340419

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide (CID 74345526) is N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide is CC(=NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide?
The InChIKey is XZTVCUVJIYNHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-11-3-9-15(10-4-11)20(18,19)17-12(2)13-5-7-14(16)8-6-13/h3-10H,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide?
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide has a molecular weight of 307.80 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 74345526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).