4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide

C9H8F2N2O3S — CID 171015067

IUPAC4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide
SMILESCc1cc(C#N)cc(OC(F)F)c1S(N)(=O)=O
InChIInChI=1S/C9H8F2N2O3S/c1-5-2-6(4-12)3-7(16-9(10)11)8(5)17(13,14)15/h2-3,9H,1H3,(H2,13,14,15)
InChIKeyGWGWPRJDYDGRKI-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.12
Rot. Bonds3

About 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide

4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide (PubChem CID 171015067) has the molecular formula C9H8F2N2O3S and a molecular weight of 262.24 g/mol. Its IUPAC name is 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide
PubChem CID171015067
Molecular FormulaC9H8F2N2O3S
Molecular Weight262.24 g/mol
Exact Mass262.02
IUPAC Name4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide
SMILESCc1cc(C#N)cc(OC(F)F)c1S(N)(=O)=O
InChIInChI=1S/C9H8F2N2O3S/c1-5-2-6(4-12)3-7(16-9(10)11)8(5)17(13,14)15/h2-3,9H,1H3,(H2,13,14,15)
InChIKeyGWGWPRJDYDGRKI-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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Related Compounds

3-amino-4-(difluoromethoxy)-5-methylbenzonitrile
CID 171013068
2-amino-4-cyano-6-(difluoromethoxy)benzoic acid
CID 171022488
2-[2-amino-5-cyano-3-(difluoromethoxy)phenyl]acetic acid
CID 171022441
4-chloro-3-(difluoromethoxy)-5-fluorobenzonitrile
CID 171003104
ethyl 2-(chloromethyl)-4-cyano-6-(difluoromethoxy)benzoate
CID 134650442
methyl 2-[2-amino-5-cyano-3-(difluoromethoxy)phenyl]acetate
CID 171024348
methyl 5-cyano-3-(difluoromethoxy)-2-(difluoromethyl)benzoate
CID 134646334
4-cyano-2-iodo-6-methylbenzenesulfonyl chloride
CID 118816132
methyl 5-cyano-2-(difluoromethoxy)-3-hydroxybenzoate
CID 134646589
2-(difluoromethoxy)-5-formyl-4-methylbenzonitrile
CID 131300396
4-cyano-2-(difluoromethyl)-5-methylpyridine-3-sulfonamide
CID 118821692
5-amino-3-(difluoromethoxy)-2-methylbenzonitrile
CID 171013595

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide?
The IUPAC name of 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide (CID 171015067) is 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide.
What is the SMILES notation for 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide?
The canonical SMILES for 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide is Cc1cc(C#N)cc(OC(F)F)c1S(N)(=O)=O.
What is the InChIKey of 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide?
The InChIKey is GWGWPRJDYDGRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3S/c1-5-2-6(4-12)3-7(16-9(10)11)8(5)17(13,14)15/h2-3,9H,1H3,(H2,13,14,15).
What are the key properties of 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide?
4-cyano-2-(difluoromethoxy)-6-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 4-cyano-2-(difluoromethoxy)-6-methylbenzenesulfonamide is sourced from PubChem (CID 171015067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).