3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C14H10F2N2O2S — CID 63239212

IUPAC3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C14H10F2N2O2S/c15-12-3-1-10(2-4-12)9-18-21(19,20)13-5-6-14(16)11(7-13)8-17/h1-7,18H,9H2
InChIKeyNQVACNBNDPWKDL-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.31
Rot. Bonds4

About 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide

3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 63239212) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID63239212
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Name3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F
InChIInChI=1S/C14H10F2N2O2S/c15-12-3-1-10(2-4-12)9-18-21(19,20)13-5-6-14(16)11(7-13)8-17/h1-7,18H,9H2
InChIKeyNQVACNBNDPWKDL-UHFFFAOYSA-N
XLogP2.31
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 55171923
3-cyano-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 63239611
N-[(4-chlorophenyl)methyl]-4-cyano-3-methylbenzenesulfonamide
CID 106832854
3-cyano-4-fluorobenzenesulfonohydrazide
CID 63288067
3-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoic acid
CID 63288390
3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide
CID 63287874
3-cyano-4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616452
3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 63288706
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
3-cyano-4-fluoro-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720970
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 63239212) is 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is N#Cc1cc(S(=O)(=O)NCc2ccc(F)cc2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is NQVACNBNDPWKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c15-12-3-1-10(2-4-12)9-18-21(19,20)13-5-6-14(16)11(7-13)8-17/h1-7,18H,9H2.
What are the key properties of 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 308.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63239212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).