(Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide

C15H9F3N2O2S — CID 68940144

IUPAC(Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide
SMILESN#C/C(=C/c1ccc(F)cc1F)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H9F3N2O2S/c16-11-3-5-13(6-4-11)20-23(21,22)14(9-19)7-10-1-2-12(17)8-15(10)18/h1-8,20H/b14-7-
InChIKeyOINNFXMXFWSFRG-AUWJEWJLSA-N
MW338.31 g/mol
LogP3.41
Rot. Bonds4

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

(Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide (PubChem CID 68940144) has the molecular formula C15H9F3N2O2S and a molecular weight of 338.31 g/mol. Its IUPAC name is (Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide
PubChem CID68940144
Molecular FormulaC15H9F3N2O2S
Molecular Weight338.31 g/mol
Exact Mass338.03
IUPAC Name(Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide
SMILESN#C/C(=C/c1ccc(F)cc1F)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H9F3N2O2S/c16-11-3-5-13(6-4-11)20-23(21,22)14(9-19)7-10-1-2-12(17)8-15(10)18/h1-8,20H/b14-7-
InChIKeyOINNFXMXFWSFRG-AUWJEWJLSA-N
XLogP3.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.41
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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Related Compounds

(E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
CID 25052537
(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
CID 68946458
(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
CID 25052637
1-cyano-N-(4-fluorophenyl)-2-(1H-indol-3-yl)ethenesulfonamide
CID 68944850
1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide
CID 68948589
(Z)-1-cyano-N-(4-fluorophenyl)-2-(3-methylthiophen-2-yl)ethenesulfonamide
CID 68948587
N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide
CID 68944799
1-cyano-2-(2,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68946474
(Z)-1-cyano-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68941943
(E)-3-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)methylsulfonyl]prop-2-enenitrile
CID 68946912
(Z)-1-cyano-2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68942999
1-(2,2-dibromoethenyl)-2,4-difluorobenzene
CID 82363001

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide?
The IUPAC name of (Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide (CID 68940144) is (Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide.
What is the SMILES notation for (Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide?
The canonical SMILES for (Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide is N#C/C(=C/c1ccc(F)cc1F)S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of (Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide?
The InChIKey is OINNFXMXFWSFRG-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H9F3N2O2S/c16-11-3-5-13(6-4-11)20-23(21,22)14(9-19)7-10-1-2-12(17)8-15(10)18/h1-8,20H/b14-7-.
What are the key properties of (Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide?
(Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide is sourced from PubChem (CID 68940144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).