3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide

C14H22N2O3S — CID 64748214

IUPAC3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccc(O)c(N)c2)C1
InChIInChI=1S/C14H22N2O3S/c1-2-10-4-3-5-11(8-10)16-20(18,19)12-6-7-14(17)13(15)9-12/h6-7,9-11,16-17H,2-5,8,15H2,1H3
InChIKeyUUAADUUXQTVVFH-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.22
Rot. Bonds4

About 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide

3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide (PubChem CID 64748214) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide
PubChem CID64748214
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide
SMILESCCC1CCCC(NS(=O)(=O)c2ccc(O)c(N)c2)C1
InChIInChI=1S/C14H22N2O3S/c1-2-10-4-3-5-11(8-10)16-20(18,19)12-6-7-14(17)13(15)9-12/h6-7,9-11,16-17H,2-5,8,15H2,1H3
InChIKeyUUAADUUXQTVVFH-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64749989
2-chloro-N-(3-ethylcyclohexyl)pyridine-4-sulfonamide
CID 64749413
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
3-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methylbenzenesulfonamide
CID 114379774
5-amino-2-chloro-N-(3-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 64748607
3-amino-4-hydroxy-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107411156
2-(ethylamino)-N-(3-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 64741289
3-amino-N-ethyl-4-hydroxybenzenesulfonamide;hydrochloride
CID 53432788
3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
CID 61125446
5-amino-3-chloro-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64748610
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide (CID 64748214) is 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide is CCC1CCCC(NS(=O)(=O)c2ccc(O)c(N)c2)C1.
What is the InChIKey of 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide?
The InChIKey is UUAADUUXQTVVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-10-4-3-5-11(8-10)16-20(18,19)12-6-7-14(17)13(15)9-12/h6-7,9-11,16-17H,2-5,8,15H2,1H3.
What are the key properties of 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide?
3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 64748214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).