3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide

C14H22N2O3S — CID 43257259

IUPAC3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1N
InChIInChI=1S/C14H22N2O3S/c1-2-10-3-8-13(9-14(10)15)20(18,19)16-11-4-6-12(17)7-5-11/h3,8-9,11-12,16-17H,2,4-7,15H2,1H3
InChIKeyPKYMXHRCCKIWJO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.41
Rot. Bonds4

About 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide

3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide (PubChem CID 43257259) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
PubChem CID43257259
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1N
InChIInChI=1S/C14H22N2O3S/c1-2-10-3-8-13(9-14(10)15)20(18,19)16-11-4-6-12(17)7-5-11/h3,8-9,11-12,16-17H,2,4-7,15H2,1H3
InChIKeyPKYMXHRCCKIWJO-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

3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 134367233
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
3-amino-4-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 80714763
8-(3-amino-4-ethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763074
N-(4-hydroxycyclohexyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62150249
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
CID 61168643
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
3-amino-4-bromo-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 113288378
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide (CID 43257259) is 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide?
The InChIKey is PKYMXHRCCKIWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-10-3-8-13(9-14(10)15)20(18,19)16-11-4-6-12(17)7-5-11/h3,8-9,11-12,16-17H,2,4-7,15H2,1H3.
What are the key properties of 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide?
3-amino-4-ethyl-N-(4-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 3-amino-4-ethyl-N-(4-hydroxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43257259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).