1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide

C8H9F2NO3S — CID 64792576

IUPAC1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide
SMILESCc1c(O)cccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H9F2NO3S/c1-5-6(3-2-4-7(5)12)11-15(13,14)8(9)10/h2-4,8,11-12H,1H3
InChIKeyPEAMXSRTXSKRSC-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.66
Rot. Bonds3

About 1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide

1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide (PubChem CID 64792576) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is 1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide
PubChem CID64792576
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide
SMILESCc1c(O)cccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C8H9F2NO3S/c1-5-6(3-2-4-7(5)12)11-15(13,14)8(9)10/h2-4,8,11-12H,1H3
InChIKeyPEAMXSRTXSKRSC-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

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Related Compounds

1,1-difluoro-N-(2-hydroxy-6-methylphenyl)methanesulfonamide
CID 61036850
4-hydroxy-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 25065487
N-(3-hydroxy-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594475
2-(difluoromethylsulfonylamino)benzenesulfonamide
CID 61132086
N-(3-hydroxy-2-methylphenyl)cyclopentanesulfonamide
CID 105361239
N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide
CID 43200301
2-ethoxy-N-(3-hydroxy-2-methylphenyl)ethanesulfonamide
CID 64792935
N-[2-(chloromethyl)phenyl]-1,1-difluoromethanesulfonamide
CID 65030893
N-(2-cyanophenyl)-1,1-difluoromethanesulfonamide
CID 28607000
3-bromo-N-(3-hydroxy-2-methylphenyl)thiophene-2-sulfonamide
CID 64793855
1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide
CID 43604018
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide (CID 64792576) is 1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide is Cc1c(O)cccc1NS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide?
The InChIKey is PEAMXSRTXSKRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c1-5-6(3-2-4-7(5)12)11-15(13,14)8(9)10/h2-4,8,11-12H,1H3.
What are the key properties of 1,1-difluoro-N-(3-hydroxy-2-methylphenyl)methanesulfonamide?
1,1-difluoro-N-(3-hydroxy-2-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-(3-hydroxy-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 64792576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).