N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide

C19H14FN3O2S — CID 112989988

IUPACN-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
SMILESN#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C19H14FN3O2S/c20-15-4-10-19(11-5-15)26(24,25)23-17-8-6-16(7-9-17)22-18-3-1-2-14(12-18)13-21/h1-12,22-23H
InChIKeyJELWLYTXLYIQFK-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.24
Rot. Bonds5

About N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide

N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide (PubChem CID 112989988) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
PubChem CID112989988
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC NameN-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide
SMILESN#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C19H14FN3O2S/c20-15-4-10-19(11-5-15)26(24,25)23-17-8-6-16(7-9-17)22-18-3-1-2-14(12-18)13-21/h1-12,22-23H
InChIKeyJELWLYTXLYIQFK-UHFFFAOYSA-N
XLogP4.24
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyanoanilino)phenyl]benzenesulfonamide
CID 112989986
N-[4-(3-cyanoanilino)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 112989997
N-[4-(3-fluoroanilino)phenyl]-4-methylbenzenesulfonamide
CID 112988985
5-chloro-N-[4-(3-cyanoanilino)phenyl]thiophene-2-sulfonamide
CID 112990005
4-fluoro-N-[4-(2-phenylethynyl)phenyl]benzenesulfonamide
CID 1472868
N-(3-cyanophenyl)-2,6-difluorobenzenesulfonamide
CID 3712473
2-chloro-N-(3-cyanophenyl)-4-fluorobenzenesulfonamide
CID 47154362
4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
CID 2083431
N-[4-(3-cyanoanilino)phenyl]-5-ethylthiophene-2-sulfonamide
CID 112990004
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 109065822
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide (CID 112989988) is N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide is N#Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is JELWLYTXLYIQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-15-4-10-19(11-5-15)26(24,25)23-17-8-6-16(7-9-17)22-18-3-1-2-14(12-18)13-21/h1-12,22-23H.
What are the key properties of N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide?
N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 367.41 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanoanilino)phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 112989988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).