N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide

C11H13FN2O2S — CID 42961147

IUPACN-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H13FN2O2S/c1-9(7-13)8-14(2)17(15,16)11-5-3-4-10(12)6-11/h3-6,9H,8H2,1-2H3
InChIKeyJZUWPFFSESBKPM-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.61
Rot. Bonds4

About N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide

N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 42961147) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID42961147
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC NameN-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCC(C#N)CN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H13FN2O2S/c1-9(7-13)8-14(2)17(15,16)11-5-3-4-10(12)6-11/h3-6,9H,8H2,1-2H3
InChIKeyJZUWPFFSESBKPM-UHFFFAOYSA-N
XLogP1.61
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide (CID 42961147) is N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide is CC(C#N)CN(C)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is JZUWPFFSESBKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-9(7-13)8-14(2)17(15,16)11-5-3-4-10(12)6-11/h3-6,9H,8H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide?
N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 256.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 42961147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).