N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide

C16H25NO3S — CID 80691007

IUPACN-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC1(CO)CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO3S/c1-14(15-8-4-2-5-9-15)12-21(19,20)17-16(13-18)10-6-3-7-11-16/h2,4-5,8-9,14,17-18H,3,6-7,10-13H2,1H3
InChIKeyJUCYLAGYQUCNFY-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide

N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide (PubChem CID 80691007) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide
PubChem CID80691007
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide
SMILESCC(CS(=O)(=O)NC1(CO)CCCCC1)c1ccccc1
InChIInChI=1S/C16H25NO3S/c1-14(15-8-4-2-5-9-15)12-21(19,20)17-16(13-18)10-6-3-7-11-16/h2,4-5,8-9,14,17-18H,3,6-7,10-13H2,1H3
InChIKeyJUCYLAGYQUCNFY-UHFFFAOYSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpropane-1-sulfonamide
CID 79585971
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
CID 62519905
N-(1,3-dihydroxypropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686550
1-[(2-phenylpropylsulfonylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450131
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
N-[1-(hydroxymethyl)cyclopentyl]-3-methylbutane-1-sulfonamide
CID 63857521
N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylpropane-1-sulfonamide
CID 80686473
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 21078665
2-phenylpropane-1-sulfonic acid
CID 18989058
N-(2-oxopropyl)-2-phenylpropane-1-sulfonamide
CID 80686698
2-methyl-2-(2-phenylpropylsulfonylamino)propanoic acid
CID 80686315
N-(3-hydroxycyclobutyl)-2-phenylpropane-1-sulfonamide
CID 80685896

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide (CID 80691007) is N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide is CC(CS(=O)(=O)NC1(CO)CCCCC1)c1ccccc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide?
The InChIKey is JUCYLAGYQUCNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-14(15-8-4-2-5-9-15)12-21(19,20)17-16(13-18)10-6-3-7-11-16/h2,4-5,8-9,14,17-18H,3,6-7,10-13H2,1H3.
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide?
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.40, 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-phenylpropane-1-sulfonamide is sourced from PubChem (CID 80691007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).