4-cyano-3-fluoro-N-methylbenzenesulfonamide

C8H7FN2O2S — CID 126776790

IUPAC4-cyano-3-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C#N)c(F)c1
InChIInChI=1S/C8H7FN2O2S/c1-11-14(12,13)7-3-2-6(5-10)8(9)4-7/h2-4,11H,1H3
InChIKeyAJWZCACEQQTNTQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.61
Rot. Bonds2

About 4-cyano-3-fluoro-N-methylbenzenesulfonamide

4-cyano-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 126776790) has the molecular formula C8H7FN2O2S and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-cyano-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-3-fluoro-N-methylbenzenesulfonamide
PubChem CID126776790
Molecular FormulaC8H7FN2O2S
Molecular Weight214.22 g/mol
Exact Mass214.02
IUPAC Name4-cyano-3-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C#N)c(F)c1
InChIInChI=1S/C8H7FN2O2S/c1-11-14(12,13)7-3-2-6(5-10)8(9)4-7/h2-4,11H,1H3
InChIKeyAJWZCACEQQTNTQ-UHFFFAOYSA-N
XLogP0.61
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N,3-dimethylbenzenesulfonamide
CID 106832880
4-cyano-3-fluorobenzenesulfonyl chloride
CID 55280880
2-fluoro-4-(4-methylsulfonylanilino)benzonitrile
CID 115367088
4-(aminomethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 125498168
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
4-fluoro-N-methyl-3-nitrosobenzenesulfonamide
CID 88876048
4-[(4-cyano-2,6-difluoroanilino)methyl]-N-methylbenzenesulfonamide
CID 51101942
3-cyano-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 63239611
3-cyano-N-(2,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 63235815
3-cyano-N-methyl-4-[[3-(trifluoromethyl)phenyl]methoxy]benzenesulfonamide
CID 156538666
N-(2-chloro-6-fluorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106919890
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-3-fluoro-N-methylbenzenesulfonamide (CID 126776790) is 4-cyano-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-3-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C#N)c(F)c1.
What is the InChIKey of 4-cyano-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is AJWZCACEQQTNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2S/c1-11-14(12,13)7-3-2-6(5-10)8(9)4-7/h2-4,11H,1H3.
What are the key properties of 4-cyano-3-fluoro-N-methylbenzenesulfonamide?
4-cyano-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 214.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 126776790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).