(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide

C15H9ClF2N2O2S — CID 25052637

IUPAC(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
SMILESC1=CC(=CC=C1NS(=O)(=O)/C(=C/C2=CC(=C(C=C2)F)Cl)/C#N)F
InChIInChI=1S/C15H9ClF2N2O2S/c16-14-8-10(1-6-15(14)18)7-13(9-19)23(21,22)20-12-4-2-11(17)3-5-12/h1-8,20H/b13-7+
InChIKeyRJPHKSWQRIWVPJ-NTUHNPAUSA-N
MW354.80 g/mol
LogP4.20
Rot. Bonds4

About (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide

(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide (PubChem CID 25052637) has the molecular formula C15H9ClF2N2O2S and a molecular weight of 354.80 g/mol. Its IUPAC name is (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
PubChem CID25052637
Molecular FormulaC15H9ClF2N2O2S
Molecular Weight354.80 g/mol
Exact Mass354.00
IUPAC Name(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide
SMILESC1=CC(=CC=C1NS(=O)(=O)/C(=C/C2=CC(=C(C=C2)F)Cl)/C#N)F
InChIInChI=1S/C15H9ClF2N2O2S/c16-14-8-10(1-6-15(14)18)7-13(9-19)23(21,22)20-12-4-2-11(17)3-5-12/h1-8,20H/b13-7+
InChIKeyRJPHKSWQRIWVPJ-NTUHNPAUSA-N
XLogP4.20
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity588

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Benzenesulfonamide, N-(4-chloro-2-(trifluoromethyl)phenyl)-4-fluoro-
CID 100809
2-chloro-N-(3-cyanophenyl)benzenesulfonamide
CID 7514390
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-6-fluorobenzenesulfonamide
CID 42645538
2-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylamino]-6-fluorobenzenesulfonamide
CID 42647220
(2-Chlorophenyl){[2-(trifluoromethyl)phenyl]sulfonyl}amine
CID 697916
4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 765332
3-chloro-4-fluoro-N-(m-tolyl)benzenesulfonamide
CID 890373
Benzenesulfonamide, 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-
CID 2810851
(E)-styryl-N-4-chlorophenyl Sulfonamide
CID 8497751
N-(4-chloro-3-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 41529829
N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 124570298
N-(4-chloro-2-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 125467587

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide?
The IUPAC name of (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide (CID 25052637) is (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide is C1=CC(=CC=C1NS(=O)(=O)/C(=C/C2=CC(=C(C=C2)F)Cl)/C#N)F.
What is the InChIKey of (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide?
The InChIKey is RJPHKSWQRIWVPJ-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H9ClF2N2O2S/c16-14-8-10(1-6-15(14)18)7-13(9-19)23(21,22)20-12-4-2-11(17)3-5-12/h1-8,20H/b13-7+.
What are the key properties of (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide?
(E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide has a molecular weight of 354.80 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-chloro-4-fluorophenyl)-1-cyano-N-(4-fluorophenyl)ethenesulfonamide is sourced from PubChem (CID 25052637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).