1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide

C8H15F2NO3S — CID 62520783

IUPAC1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)C(F)F
InChIInChI=1S/C8H15F2NO3S/c9-7(10)15(13,14)11-8(6-12)4-2-1-3-5-8/h7,11-12H,1-6H2
InChIKeyPKWPXBMWMDOORX-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.82
Rot. Bonds4

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

1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide (PubChem CID 62520783) has the molecular formula C8H15F2NO3S and a molecular weight of 243.27 g/mol. Its IUPAC name is 1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
PubChem CID62520783
Molecular FormulaC8H15F2NO3S
Molecular Weight243.27 g/mol
Exact Mass243.07
IUPAC Name1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESO=S(=O)(NC1(CO)CCCCC1)C(F)F
InChIInChI=1S/C8H15F2NO3S/c9-7(10)15(13,14)11-8(6-12)4-2-1-3-5-8/h7,11-12H,1-6H2
InChIKeyPKWPXBMWMDOORX-UHFFFAOYSA-N
XLogP0.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]methanesulfonamide
CID 62520336
1-(difluoromethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165338
1-(dimethylsulfamoylamino)-1-(hydroxymethyl)cyclopentane
CID 62521242
methyl N-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]carbamate
CID 114464182
[1-[4-(difluoromethylsulfonyl)anilino]cyclohexyl]methanol
CID 62519924
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62519723
3-chloro-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpropane-1-sulfonamide
CID 79585971
N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 62552006
N-[1-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 62520072
3,5-dichloro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62521842

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide (CID 62520783) is 1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide is O=S(=O)(NC1(CO)CCCCC1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The InChIKey is PKWPXBMWMDOORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3S/c9-7(10)15(13,14)11-8(6-12)4-2-1-3-5-8/h7,11-12H,1-6H2.
What are the key properties of 1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide?
1,1-difluoro-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide has a molecular weight of 243.27 g/mol, XLogP of 0.82, 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-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 62520783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).