2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide

C9H11F2NO3S — CID 165474374

IUPAC2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(OC(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H11F2NO3S/c1-5-3-6(2)8(15-9(10)11)7(4-5)16(12,13)14/h3-4,9H,1-2H3,(H2,12,13,14)
InChIKeyZAGFBEGDGUAYRS-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.55
Rot. Bonds3

About 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide

2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide (PubChem CID 165474374) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
PubChem CID165474374
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)c(OC(F)F)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H11F2NO3S/c1-5-3-6(2)8(15-9(10)11)7(4-5)16(12,13)14/h3-4,9H,1-2H3,(H2,12,13,14)
InChIKeyZAGFBEGDGUAYRS-UHFFFAOYSA-N
XLogP1.55
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-2-(4-methylpentoxy)benzenesulfonamide
CID 83158027
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propan-2-ylpropanamide
CID 82917914
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propylpropanamide
CID 82917132
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 82916982
3,5-dimethyl-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473034
3,5-dimethyl-2-pent-4-enoxybenzenesulfonamide
CID 82914810
(2,4,6-trimethylphenyl) sulfamate
CID 23161078
2-(3-chloro-2-methylprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 106439089
2-[(Z)-2,3-dichloroprop-2-enoxy]-3,5-dimethylbenzenesulfonamide
CID 82915155
2,3-difluoro-5-methylbenzenesulfonamide
CID 119018924
2-(difluoromethoxy)-3-fluoro-5-methylaniline;hydrochloride
CID 119081480
4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide
CID 118852223

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide (CID 165474374) is 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide is Cc1cc(C)c(OC(F)F)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide?
The InChIKey is ZAGFBEGDGUAYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c1-5-3-6(2)8(15-9(10)11)7(4-5)16(12,13)14/h3-4,9H,1-2H3,(H2,12,13,14).
What are the key properties of 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide?
2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide has a molecular weight of 251.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 165474374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).