4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide

C14H22N2O3S — CID 106358885

IUPAC4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC1CCCCC1CO
InChIInChI=1S/C14H22N2O3S/c1-10-8-12(15)6-7-14(10)20(18,19)16-13-5-3-2-4-11(13)9-17/h6-8,11,13,16-17H,2-5,9,15H2,1H3
InChIKeyHVYBVEMYVOMCHY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.41
Rot. Bonds4

About 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide

4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide (PubChem CID 106358885) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
PubChem CID106358885
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
SMILESCc1cc(N)ccc1S(=O)(=O)NC1CCCCC1CO
InChIInChI=1S/C14H22N2O3S/c1-10-8-12(15)6-7-14(10)20(18,19)16-13-5-3-2-4-11(13)9-17/h6-8,11,13,16-17H,2-5,9,15H2,1H3
InChIKeyHVYBVEMYVOMCHY-UHFFFAOYSA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
CID 106358830
N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 106358785
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 61466373
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
4-[(2-hydroxycyclohexyl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106998093
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide (CID 106358885) is 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide is Cc1cc(N)ccc1S(=O)(=O)NC1CCCCC1CO.
What is the InChIKey of 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide?
The InChIKey is HVYBVEMYVOMCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-8-12(15)6-7-14(10)20(18,19)16-13-5-3-2-4-11(13)9-17/h6-8,11,13,16-17H,2-5,9,15H2,1H3.
What are the key properties of 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide?
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106358885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).