3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide

C10H10F2N2O3S — CID 142795044

IUPAC3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(N)(=O)=O)c(OC(F)F)c1C#N
InChIInChI=1S/C10H10F2N2O3S/c1-2-6-3-4-8(18(14,15)16)9(7(6)5-13)17-10(11)12/h3-4,10H,2H2,1H3,(H2,14,15,16)
InChIKeyCFIRZIFFKULBHQ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.37
Rot. Bonds4

About 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide

3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide (PubChem CID 142795044) has the molecular formula C10H10F2N2O3S and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide
PubChem CID142795044
Molecular FormulaC10H10F2N2O3S
Molecular Weight276.26 g/mol
Exact Mass276.04
IUPAC Name3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(N)(=O)=O)c(OC(F)F)c1C#N
InChIInChI=1S/C10H10F2N2O3S/c1-2-6-3-4-8(18(14,15)16)9(7(6)5-13)17-10(11)12/h3-4,10H,2H2,1H3,(H2,14,15,16)
InChIKeyCFIRZIFFKULBHQ-UHFFFAOYSA-N
XLogP1.37
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide 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 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide?
The IUPAC name of 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide (CID 142795044) is 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide?
The canonical SMILES for 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide is CCc1ccc(S(N)(=O)=O)c(OC(F)F)c1C#N.
What is the InChIKey of 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide?
The InChIKey is CFIRZIFFKULBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3S/c1-2-6-3-4-8(18(14,15)16)9(7(6)5-13)17-10(11)12/h3-4,10H,2H2,1H3,(H2,14,15,16).
What are the key properties of 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide?
3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide has a molecular weight of 276.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-(difluoromethoxy)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 142795044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).