1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide

C14H21NO3S — CID 61453827

IUPAC1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1cccc(CO)c1
InChIInChI=1S/C14H21NO3S/c16-10-13-7-4-8-14(9-13)15-19(17,18)11-12-5-2-1-3-6-12/h4,7-9,12,15-16H,1-3,5-6,10-11H2
InChIKeyNXBXKUDYLCIMIX-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.50
Rot. Bonds5

About 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide

1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide (PubChem CID 61453827) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
PubChem CID61453827
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1cccc(CO)c1
InChIInChI=1S/C14H21NO3S/c16-10-13-7-4-8-14(9-13)15-19(17,18)11-12-5-2-1-3-6-12/h4,7-9,12,15-16H,1-3,5-6,10-11H2
InChIKeyNXBXKUDYLCIMIX-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 107651406
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide
CID 61453579
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487
5-(cyclohexylmethylsulfonylamino)-2-methylbenzoic acid
CID 63653860
N-(3-cyclopentylpropyl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 106014654
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
2-(cyclohexylmethylsulfonylamino)-3-methylbenzoic acid
CID 61453613
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
N-(3-methylphenyl)-1-(oxan-4-yl)methanesulfonamide
CID 176560175
N-[3-(chloromethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65033474

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide (CID 61453827) is 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide is O=S(=O)(CC1CCCCC1)Nc1cccc(CO)c1.
What is the InChIKey of 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide?
The InChIKey is NXBXKUDYLCIMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c16-10-13-7-4-8-14(9-13)15-19(17,18)11-12-5-2-1-3-6-12/h4,7-9,12,15-16H,1-3,5-6,10-11H2.
What are the key properties of 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide?
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 61453827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).