4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide

C15H19FN2O3S — CID 166276255

IUPAC4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide
SMILESN#CC1(CCOc2ccc(S(N)(=O)=O)c(F)c2)CCCCC1
InChIInChI=1S/C15H19FN2O3S/c16-13-10-12(4-5-14(13)22(18,19)20)21-9-8-15(11-17)6-2-1-3-7-15/h4-5,10H,1-3,6-9H2,(H2,18,19,20)
InChIKeyUAAOPCCNBJDFHN-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.72
Rot. Bonds5

About 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide

4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide (PubChem CID 166276255) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide
PubChem CID166276255
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide
SMILESN#CC1(CCOc2ccc(S(N)(=O)=O)c(F)c2)CCCCC1
InChIInChI=1S/C15H19FN2O3S/c16-13-10-12(4-5-14(13)22(18,19)20)21-9-8-15(11-17)6-2-1-3-7-15/h4-5,10H,1-3,6-9H2,(H2,18,19,20)
InChIKeyUAAOPCCNBJDFHN-UHFFFAOYSA-N
XLogP2.72
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide 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 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide?
The IUPAC name of 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide (CID 166276255) is 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide is N#CC1(CCOc2ccc(S(N)(=O)=O)c(F)c2)CCCCC1.
What is the InChIKey of 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide?
The InChIKey is UAAOPCCNBJDFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c16-13-10-12(4-5-14(13)22(18,19)20)21-9-8-15(11-17)6-2-1-3-7-15/h4-5,10H,1-3,6-9H2,(H2,18,19,20).
What are the key properties of 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide?
4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide has a molecular weight of 326.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 166276255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).