2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide

C9H8F2N2O3S — CID 11630306

IUPAC2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(OC(F)F)c1C#N
InChIInChI=1S/C9H8F2N2O3S/c1-13-17(14,15)8-4-2-3-7(6(8)5-12)16-9(10)11/h2-4,9,13H,1H3
InChIKeyFTRBGJBAWNIOCJ-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.07
Rot. Bonds4

About 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide

2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide (PubChem CID 11630306) has the molecular formula C9H8F2N2O3S and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide
PubChem CID11630306
Molecular FormulaC9H8F2N2O3S
Molecular Weight262.24 g/mol
Exact Mass262.02
IUPAC Name2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(OC(F)F)c1C#N
InChIInChI=1S/C9H8F2N2O3S/c1-13-17(14,15)8-4-2-3-7(6(8)5-12)16-9(10)11/h2-4,9,13H,1H3
InChIKeyFTRBGJBAWNIOCJ-UHFFFAOYSA-N
XLogP1.07
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide (CID 11630306) is 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(OC(F)F)c1C#N.
What is the InChIKey of 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide?
The InChIKey is FTRBGJBAWNIOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3S/c1-13-17(14,15)8-4-2-3-7(6(8)5-12)16-9(10)11/h2-4,9,13H,1H3.
What are the key properties of 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide?
2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide has a molecular weight of 262.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(difluoromethoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 11630306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).