N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide

C13H15FN2O2S — CID 75483858

IUPACN-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N(C)C2(C#N)CCC2)c1
InChIInChI=1S/C13H15FN2O2S/c1-10-4-5-11(14)12(8-10)19(17,18)16(2)13(9-15)6-3-7-13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyFTIFSZCVILKYKU-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.20
Rot. Bonds3

About N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide

N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide (PubChem CID 75483858) has the molecular formula C13H15FN2O2S and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide
PubChem CID75483858
Molecular FormulaC13H15FN2O2S
Molecular Weight282.34 g/mol
Exact Mass282.08
IUPAC NameN-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)N(C)C2(C#N)CCC2)c1
InChIInChI=1S/C13H15FN2O2S/c1-10-4-5-11(14)12(8-10)19(17,18)16(2)13(9-15)6-3-7-13/h4-5,8H,3,6-7H2,1-2H3
InChIKeyFTIFSZCVILKYKU-UHFFFAOYSA-N
XLogP2.20
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide 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-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide (CID 75483858) is N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)N(C)C2(C#N)CCC2)c1.
What is the InChIKey of N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide?
The InChIKey is FTIFSZCVILKYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2S/c1-10-4-5-11(14)12(8-10)19(17,18)16(2)13(9-15)6-3-7-13/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide?
N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide has a molecular weight of 282.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclobutyl)-2-fluoro-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 75483858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).