1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide

C8H9F2NO3S — CID 64795267

IUPAC1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)C(F)F
InChIInChI=1S/C8H9F2NO3S/c9-8(10)15(13,14)11-7-3-1-6(5-12)2-4-7/h1-4,8,11-12H,5H2
InChIKeyOOMRXPMNZSMUJQ-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.14
Rot. Bonds4

About 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide

1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide (PubChem CID 64795267) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
PubChem CID64795267
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc(CO)cc1)C(F)F
InChIInChI=1S/C8H9F2NO3S/c9-8(10)15(13,14)11-7-3-1-6(5-12)2-4-7/h1-4,8,11-12H,5H2
InChIKeyOOMRXPMNZSMUJQ-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(hydroxymethyl)phenyl]sulfamic acid
CID 141443136
1,1-difluoro-N-[4-(methylamino)phenyl]methanesulfonamide
CID 43604018
1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 64792669
2-[[4-(difluoromethylsulfonylamino)benzoyl]amino]acetic acid
CID 28550291
2,4,6-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794886
N-[4-(cyanomethoxy)phenyl]-1,1-difluoromethanesulfonamide
CID 43175608
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
2,4,6-trichloro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794514
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
N-[4-(hydroxymethyl)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 4677892
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide (CID 64795267) is 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide is O=S(=O)(Nc1ccc(CO)cc1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide?
The InChIKey is OOMRXPMNZSMUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c9-8(10)15(13,14)11-7-3-1-6(5-12)2-4-7/h1-4,8,11-12H,5H2.
What are the key properties of 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide?
1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide has a molecular weight of 237.23 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[4-(hydroxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 64795267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).