1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide

C8H9F2NO3S — CID 61036850

IUPAC1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H9F2NO3S/c1-5-3-2-4-6(12)7(5)11-15(13,14)8(9)10/h2-4,8,11-12H,1H3
InChIKeyGOUWKZQRAIZACX-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.66
Rot. Bonds3

About 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide

1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide (PubChem CID 61036850) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide
PubChem CID61036850
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide
SMILESCc1cccc(O)c1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H9F2NO3S/c1-5-3-2-4-6(12)7(5)11-15(13,14)8(9)10/h2-4,8,11-12H,1H3
InChIKeyGOUWKZQRAIZACX-UHFFFAOYSA-N
XLogP1.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide
CID 64792576
N-(2-hydroxy-6-methylphenyl)-3-methylbutane-1-sulfonamide
CID 55259954
N-(2-hydroxy-6-methylphenyl)-3-methylbenzenesulfonamide
CID 54909431
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
N-(2-hydroxy-6-methylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 154381211
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
2-hydrazinyl-3-methylphenol
CID 130966480
4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
CID 103930776
4-bromo-2-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 61036715
N-(2,6-dimethylphenyl)sulfamoyl chloride
CID 84760590
2-chloro-5-cyano-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 80698371
2-(2,6-dimethylanilino)-1,3,4-trifluoro-5,8-dihydroxyanthracene-9,10-dione
CID 18970553

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide (CID 61036850) is 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide is Cc1cccc(O)c1NS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide?
The InChIKey is GOUWKZQRAIZACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c1-5-3-2-4-6(12)7(5)11-15(13,14)8(9)10/h2-4,8,11-12H,1H3.
What are the key properties of 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide?
1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide has a molecular weight of 237.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide is sourced from PubChem (CID 61036850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).