5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

C14H22N2O3S — CID 107213608

IUPAC5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H22N2O3S/c1-2-10-7-8-11(15)9-14(10)20(18,19)16-12-5-3-4-6-13(12)17/h7-9,12-13,16-17H,2-6,15H2,1H3/t12-,13-/m1/s1
InChIKeyFTABNFDIYPRSJX-CHWSQXEVSA-N
MW298.41 g/mol
LogP1.41
Rot. Bonds4

About 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (PubChem CID 107213608) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
PubChem CID107213608
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H22N2O3S/c1-2-10-7-8-11(15)9-14(10)20(18,19)16-12-5-3-4-6-13(12)17/h7-9,12-13,16-17H,2-6,15H2,1H3/t12-,13-/m1/s1
InChIKeyFTABNFDIYPRSJX-CHWSQXEVSA-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'}

Analyze 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbenzenesulfonamide
CID 107213448
5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
CID 43256436
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 61466373
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
5-amino-N-(1,1-dioxothian-3-yl)-2-ethylbenzenesulfonamide
CID 63924074
5-amino-3-chloro-2-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213485
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (CID 107213608) is 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The InChIKey is FTABNFDIYPRSJX-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-10-7-8-11(15)9-14(10)20(18,19)16-12-5-3-4-6-13(12)17/h7-9,12-13,16-17H,2-6,15H2,1H3/t12-,13-/m1/s1.
What are the key properties of 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide 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 5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 107213608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).