N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide

C15H23NO3S — CID 62519905

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NC1(CO)CCCCC1
InChIInChI=1S/C15H23NO3S/c17-13-15(10-5-2-6-11-15)16-20(18,19)12-9-14-7-3-1-4-8-14/h1,3-4,7-8,16-17H,2,5-6,9-13H2
InChIKeyXTLGACJGCBBFSC-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.84
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide

N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide (PubChem CID 62519905) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
PubChem CID62519905
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NC1(CO)CCCCC1
InChIInChI=1S/C15H23NO3S/c17-13-15(10-5-2-6-11-15)16-20(18,19)12-9-14-7-3-1-4-8-14/h1,3-4,7-8,16-17H,2,5-6,9-13H2
InChIKeyXTLGACJGCBBFSC-UHFFFAOYSA-N
XLogP1.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2-phenylethanesulfonamide
CID 79017598
N-[(1-aminocyclohexyl)methyl]-2-phenylethanesulfonamide;hydrochloride
CID 119958854
N-[1-(hydroxymethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 62520965
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide
CID 80691007
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-pyridin-4-ylethanesulfonamide
CID 62525659
1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
CID 62519734
4-[[1-(hydroxymethyl)cyclohexyl]sulfamoyl]butanoic acid
CID 62552006
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
N-[1-(hydroxymethyl)cyclopentyl]-3,3-dimethylbutane-1-sulfonamide
CID 103521346
2-[1-(2-pyridin-2-ylethylsulfonylamino)cyclopentyl]acetic acid
CID 64672949
N-[1-(hydroxymethyl)cyclopentyl]-4-propylbenzenesulfonamide
CID 62520894

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide (CID 62519905) is N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)NC1(CO)CCCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide?
The InChIKey is XTLGACJGCBBFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c17-13-15(10-5-2-6-11-15)16-20(18,19)12-9-14-7-3-1-4-8-14/h1,3-4,7-8,16-17H,2,5-6,9-13H2.
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 62519905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).