N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide

C14H21NO3S — CID 55064031

IUPACN-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCCC2O)c1
InChIInChI=1S/C14H21NO3S/c1-10-7-8-11(2)14(9-10)19(17,18)15-12-5-3-4-6-13(12)16/h7-9,12-13,15-16H,3-6H2,1-2H3
InChIKeyROENXWDGRFYNJO-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.89
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide

N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 55064031) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
PubChem CID55064031
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCCC2O)c1
InChIInChI=1S/C14H21NO3S/c1-10-7-8-11(2)14(9-10)19(17,18)15-12-5-3-4-6-13(12)16/h7-9,12-13,15-16H,3-6H2,1-2H3
InChIKeyROENXWDGRFYNJO-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]-5-methylbenzenesulfonamide
CID 104953272
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
N-[(3S,4R)-4-hydroxypiperidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 122561460
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2,5-dimethylbenzenesulfonamide
CID 35569450
4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66240671
N-[(1R,2R)-2-hydroxycyclohexyl]-2,5-dimethylthiophene-3-sulfonamide
CID 94415069
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide (CID 55064031) is N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NC2CCCCC2O)c1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is ROENXWDGRFYNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-7-8-11(2)14(9-10)19(17,18)15-12-5-3-4-6-13(12)16/h7-9,12-13,15-16H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide?
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 55064031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).