2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide

C10H10F2N2O3S — CID 11492812

IUPAC2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(OC(F)F)c1C#N
InChIInChI=1S/C10H10F2N2O3S/c1-14(2)18(15,16)9-5-3-4-8(7(9)6-13)17-10(11)12/h3-5,10H,1-2H3
InChIKeySLHPVQGXHAIIAB-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.41
Rot. Bonds4

About 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide

2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide (PubChem CID 11492812) has the molecular formula C10H10F2N2O3S and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide
PubChem CID11492812
Molecular FormulaC10H10F2N2O3S
Molecular Weight276.26 g/mol
Exact Mass276.04
IUPAC Name2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(OC(F)F)c1C#N
InChIInChI=1S/C10H10F2N2O3S/c1-14(2)18(15,16)9-5-3-4-8(7(9)6-13)17-10(11)12/h3-5,10H,1-2H3
InChIKeySLHPVQGXHAIIAB-UHFFFAOYSA-N
XLogP1.41
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyano-3-(difluoromethoxy)-N,N-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 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide (CID 11492812) is 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(OC(F)F)c1C#N.
What is the InChIKey of 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide?
The InChIKey is SLHPVQGXHAIIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3S/c1-14(2)18(15,16)9-5-3-4-8(7(9)6-13)17-10(11)12/h3-5,10H,1-2H3.
What are the key properties of 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide?
2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide has a molecular weight of 276.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(difluoromethoxy)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 11492812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).