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

C14H22N2O3S — CID 106358830

IUPAC2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2CO)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-10-6-7-14(12(15)8-10)20(18,19)16-13-5-3-2-4-11(13)9-17/h6-8,11,13,16-17H,2-5,9,15H2,1H3
InChIKeyBLXZYZVESZTMOC-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.41
Rot. Bonds4

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

2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 106358830) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
PubChem CID106358830
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2CO)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-10-6-7-14(12(15)8-10)20(18,19)16-13-5-3-2-4-11(13)9-17/h6-8,11,13,16-17H,2-5,9,15H2,1H3
InChIKeyBLXZYZVESZTMOC-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

N-[2-(hydroxymethyl)cyclopentyl]-2,4-dimethylbenzenesulfonamide
CID 103835923
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
5-chloro-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 103815189
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
2-amino-N-cyclobutyl-4-methylbenzenesulfonamide
CID 62414526
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358803
2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide (CID 106358830) is 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCC2CO)c(N)c1.
What is the InChIKey of 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is BLXZYZVESZTMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-6-7-14(12(15)8-10)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 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide?
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-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 2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 106358830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).