(E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide

C15H6F6N2O2S — CID 25052537

IUPAC(E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
SMILESN#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H6F6N2O2S/c16-7-1-3-8(4-2-7)23-26(24,25)9(6-22)5-10-11(17)13(19)15(21)14(20)12(10)18/h1-5,23H/b9-5+
InChIKeyKSDDJEPXXSAMJD-WEVVVXLNSA-N
MW392.28 g/mol
LogP3.83
Rot. Bonds4

About (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide

(E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide (PubChem CID 25052537) has the molecular formula C15H6F6N2O2S and a molecular weight of 392.28 g/mol. Its IUPAC name is (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
PubChem CID25052537
Molecular FormulaC15H6F6N2O2S
Molecular Weight392.28 g/mol
Exact Mass392.01
IUPAC Name(E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
SMILESN#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H6F6N2O2S/c16-7-1-3-8(4-2-7)23-26(24,25)9(6-22)5-10-11(17)13(19)15(21)14(20)12(10)18/h1-5,23H/b9-5+
InChIKeyKSDDJEPXXSAMJD-WEVVVXLNSA-N
XLogP3.83
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-cyano-2-(2,4-difluorophenyl)-N-(4-fluorophenyl)ethenesulfonamide
CID 68940144
(Z)-2-(2-chlorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
CID 68946458
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
(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
(Z)-2-[(4-fluorophenyl)methylsulfonyl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
CID 87630214
2-[(4-fluorophenyl)methylsulfonyl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
CID 74421258
(E)-2-[(4-fluorophenyl)methylsulfonyl]-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
CID 25052713
(Z)-1-cyano-2-(2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68941943
N-(4-bromophenyl)-1-cyano-2-(2-hydroxyphenyl)ethenesulfonamide
CID 68944799
(Z)-1-cyano-2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68942999

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
The IUPAC name of (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide (CID 25052537) is (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide is N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
The InChIKey is KSDDJEPXXSAMJD-WEVVVXLNSA-N. The full InChI is InChI=1S/C15H6F6N2O2S/c16-7-1-3-8(4-2-7)23-26(24,25)9(6-22)5-10-11(17)13(19)15(21)14(20)12(10)18/h1-5,23H/b9-5+.
What are the key properties of (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide?
(E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide has a molecular weight of 392.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyano-N-(4-fluorophenyl)-2-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide is sourced from PubChem (CID 25052537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).