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

C9H8F2N2O3S — CID 142794623

IUPAC3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(OC(F)F)c1C#N
InChIInChI=1S/C9H8F2N2O3S/c1-5-2-3-7(17(13,14)15)8(6(5)4-12)16-9(10)11/h2-3,9H,1H3,(H2,13,14,15)
InChIKeyBGXHEPZTPALTCI-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.12
Rot. Bonds3

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

3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide (PubChem CID 142794623) has the molecular formula C9H8F2N2O3S and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide
PubChem CID142794623
Molecular FormulaC9H8F2N2O3S
Molecular Weight262.24 g/mol
Exact Mass262.02
IUPAC Name3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(OC(F)F)c1C#N
InChIInChI=1S/C9H8F2N2O3S/c1-5-2-3-7(17(13,14)15)8(6(5)4-12)16-9(10)11/h2-3,9H,1H3,(H2,13,14,15)
InChIKeyBGXHEPZTPALTCI-UHFFFAOYSA-N
XLogP1.12
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide?
The IUPAC name of 3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide (CID 142794623) is 3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(OC(F)F)c1C#N.
What is the InChIKey of 3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide?
The InChIKey is BGXHEPZTPALTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3S/c1-5-2-3-7(17(13,14)15)8(6(5)4-12)16-9(10)11/h2-3,9H,1H3,(H2,13,14,15).
What are the key properties of 3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide?
3-cyano-2-(difluoromethoxy)-4-methylbenzenesulfonamide has a molecular weight of 262.24 g/mol, XLogP of 1.12, 3 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-methylbenzenesulfonamide is sourced from PubChem (CID 142794623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).