4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide

C23H17ClN2O2S — CID 102109148

IUPAC4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide
SMILESN#C/C=C(/c1ccccc1)N(/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26(18-16-19-7-3-1-4-8-19)23(15-17-25)20-9-5-2-6-10-20/h1-16,18H/b18-16+,23-15-
InChIKeyFNLLSPCCWRGJQJ-NHXCRVMLSA-N
MW420.92 g/mol
LogP5.57
Rot. Bonds6

About 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide

4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide (PubChem CID 102109148) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide
PubChem CID102109148
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC Name4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide
SMILESN#C/C=C(/c1ccccc1)N(/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26(18-16-19-7-3-1-4-8-19)23(15-17-25)20-9-5-2-6-10-20/h1-16,18H/b18-16+,23-15-
InChIKeyFNLLSPCCWRGJQJ-NHXCRVMLSA-N
XLogP5.57
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-2-(4-chlorophenyl)sulfonyl-5-phenylpenta-2,4-dienenitrile
CID 1186539
4-chloro-N-(2-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11523464
4-chloro-N-pentan-3-yl-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 11632263
4-chloro-N-methyl-N-phenacylbenzenesulfonamide
CID 58597544
N-benzyl-4-chloro-N-(cyanomethyl)benzenesulfonamide
CID 51141061
(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile
CID 135071522
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
4-[2-[benzenesulfonyl(fluoro)amino]ethenyl]benzoic acid
CID 173201647
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
4-chloro-N-(2-chloro-2-phenylethenyl)benzenesulfonamide
CID 71332008
N-benzyl-N-[(E)-4-(4-chlorophenyl)but-3-en-1-ynyl]-4-methylbenzenesulfonamide
CID 129127567
(Z)-2-[(4-chlorophenyl)methylsulfonyl]-3-phenylprop-2-enenitrile
CID 68942159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide (CID 102109148) is 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide is N#C/C=C(/c1ccccc1)N(/C=C/c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide?
The InChIKey is FNLLSPCCWRGJQJ-NHXCRVMLSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c24-21-11-13-22(14-12-21)29(27,28)26(18-16-19-7-3-1-4-8-19)23(15-17-25)20-9-5-2-6-10-20/h1-16,18H/b18-16+,23-15-.
What are the key properties of 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide?
4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide has a molecular weight of 420.92 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-2-cyano-1-phenylethenyl]-N-[(E)-2-phenylethenyl]benzenesulfonamide is sourced from PubChem (CID 102109148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).