3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide

C13H7F3N2O2S — CID 63235820

IUPAC3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cccc(F)c2F)ccc1F
InChIInChI=1S/C13H7F3N2O2S/c14-10-5-4-9(6-8(10)7-17)21(19,20)18-12-3-1-2-11(15)13(12)16/h1-6,18H
InChIKeyQAOJZMUNQSCXGC-UHFFFAOYSA-N
MW312.27 g/mol
LogP2.78
Rot. Bonds3

About 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide

3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 63235820) has the molecular formula C13H7F3N2O2S and a molecular weight of 312.27 g/mol. Its IUPAC name is 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
PubChem CID63235820
Molecular FormulaC13H7F3N2O2S
Molecular Weight312.27 g/mol
Exact Mass312.02
IUPAC Name3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2cccc(F)c2F)ccc1F
InChIInChI=1S/C13H7F3N2O2S/c14-10-5-4-9(6-8(10)7-17)21(19,20)18-12-3-1-2-11(15)13(12)16/h1-6,18H
InChIKeyQAOJZMUNQSCXGC-UHFFFAOYSA-N
XLogP2.78
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63236123
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
N-(2-amino-5-methylphenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 115912283
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
3-amino-N-(2,3-difluorophenyl)-4-hydroxybenzenesulfonamide
CID 61076963
4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845262
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
N-(2,3-difluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106017374
3-cyano-4-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66354770

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide (CID 63235820) is 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2cccc(F)c2F)ccc1F.
What is the InChIKey of 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is QAOJZMUNQSCXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O2S/c14-10-5-4-9(6-8(10)7-17)21(19,20)18-12-3-1-2-11(15)13(12)16/h1-6,18H.
What are the key properties of 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide?
3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide has a molecular weight of 312.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,3-difluorophenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63235820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).