(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide

C15H10ClFN2O2S — CID 68946458

IUPAC(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
SMILESN#C/C(=C/c1ccccc1Cl)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-15-4-2-1-3-11(15)9-14(10-18)22(20,21)19-13-7-5-12(17)6-8-13/h1-9,19H/b14-9-
InChIKeyJCQUYQGRYYLVKZ-ZROIWOOFSA-N
MW336.78 g/mol
LogP3.79
Rot. Bonds4

About (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide

(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide (PubChem CID 68946458) has the molecular formula C15H10ClFN2O2S and a molecular weight of 336.78 g/mol. Its IUPAC name is (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
PubChem CID68946458
Molecular FormulaC15H10ClFN2O2S
Molecular Weight336.78 g/mol
Exact Mass336.01
IUPAC Name(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
SMILESN#C/C(=C/c1ccccc1Cl)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H10ClFN2O2S/c16-15-4-2-1-3-11(15)9-14(10-18)22(20,21)19-13-7-5-12(17)6-8-13/h1-9,19H/b14-9-
InChIKeyJCQUYQGRYYLVKZ-ZROIWOOFSA-N
XLogP3.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide?
The IUPAC name of (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide (CID 68946458) is (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide.
What is the SMILES notation for (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide?
The canonical SMILES for (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide is N#C/C(=C/c1ccccc1Cl)S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide?
The InChIKey is JCQUYQGRYYLVKZ-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H10ClFN2O2S/c16-15-4-2-1-3-11(15)9-14(10-18)22(20,21)19-13-7-5-12(17)6-8-13/h1-9,19H/b14-9-.
What are the key properties of (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide?
(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide has a molecular weight of 336.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide is sourced from PubChem (CID 68946458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).