3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide

C11H10FN3O2S — CID 63287874

IUPAC3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide
SMILESCC(C#N)CNS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C11H10FN3O2S/c1-8(5-13)7-15-18(16,17)10-2-3-11(12)9(4-10)6-14/h2-4,8,15H,7H2,1H3
InChIKeyADPXVZPVOWHQFZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.14
Rot. Bonds4

About 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide

3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide (PubChem CID 63287874) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide
PubChem CID63287874
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide
SMILESCC(C#N)CNS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C11H10FN3O2S/c1-8(5-13)7-15-18(16,17)10-2-3-11(12)9(4-10)6-14/h2-4,8,15H,7H2,1H3
InChIKeyADPXVZPVOWHQFZ-UHFFFAOYSA-N
XLogP1.14
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 71983613
3-cyano-N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 120664948
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
3-cyano-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104600681
3-cyano-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 63239611
3-cyano-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 55171923
3-cyano-4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616452
3-cyano-4-fluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 63239212
3-(2-cyanopropylsulfamoyl)-4-fluorobenzoic acid
CID 62668422
3-cyano-4-fluoro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 104854815
3-cyano-4-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 113318233
3-[(3-cyano-4-fluorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 103824138

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide (CID 63287874) is 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide is CC(C#N)CNS(=O)(=O)c1ccc(F)c(C#N)c1.
What is the InChIKey of 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide?
The InChIKey is ADPXVZPVOWHQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c1-8(5-13)7-15-18(16,17)10-2-3-11(12)9(4-10)6-14/h2-4,8,15H,7H2,1H3.
What are the key properties of 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide?
3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide has a molecular weight of 267.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63287874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).