3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide

C14H21NO3S — CID 81258647

IUPAC3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H21NO3S/c1-11-6-3-4-9-14(11)15(2)19(17,18)13-8-5-7-12(16)10-13/h5,7-8,10-11,14,16H,3-4,6,9H2,1-2H3
InChIKeyXPTSAUUUZBJBKF-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.59
Rot. Bonds3

About 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide

3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 81258647) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID81258647
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C14H21NO3S/c1-11-6-3-4-9-14(11)15(2)19(17,18)13-8-5-7-12(16)10-13/h5,7-8,10-11,14,16H,3-4,6,9H2,1-2H3
InChIKeyXPTSAUUUZBJBKF-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165021
3-[methyl-(2-methylcyclohexyl)amino]phenol
CID 139614787
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
4-bromo-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165024
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
CID 61046115
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422029
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
N-cyclopentyl-3-hydroxy-N-(3-methylbutyl)benzenesulfonamide
CID 81265308
N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
CID 102639357
N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 102635778
2-amino-N-methyl-N-(2-methylcyclohexyl)pyrimidine-5-sulfonamide
CID 62159050
3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 116791589

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide (CID 81258647) is 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1N(C)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is XPTSAUUUZBJBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-6-3-4-9-14(11)15(2)19(17,18)13-8-5-7-12(16)10-13/h5,7-8,10-11,14,16H,3-4,6,9H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 81258647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).