N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide

C14H21NO3S — CID 81259352

IUPACN-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H21NO3S/c1-15(11-12-6-3-2-4-7-12)19(17,18)14-9-5-8-13(16)10-14/h5,8-10,12,16H,2-4,6-7,11H2,1H3
InChIKeyGXEBJOLSGBZLLS-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.59
Rot. Bonds4

About N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide

N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide (PubChem CID 81259352) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
PubChem CID81259352
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H21NO3S/c1-15(11-12-6-3-2-4-7-12)19(17,18)14-9-5-8-13(16)10-14/h5,8-10,12,16H,2-4,6-7,11H2,1H3
InChIKeyGXEBJOLSGBZLLS-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 81258647
3-(aminomethyl)-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 54884408
3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 106611161
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
3-chloro-N-(cyclopentylmethyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090781
N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 55248102
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
N-(cyclobutylmethyl)-4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
CID 62855121
3-[methyl(oxan-4-ylmethyl)sulfamoyl]benzenecarbothioamide
CID 63706866
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
N-(cyclobutylmethyl)-3-hydroxybenzenesulfonamide
CID 81259195

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide (CID 81259352) is N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide is CN(CC1CCCCC1)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is GXEBJOLSGBZLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-15(11-12-6-3-2-4-7-12)19(17,18)14-9-5-8-13(16)10-14/h5,8-10,12,16H,2-4,6-7,11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide?
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 81259352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).