3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide

C15H24N2O3S — CID 61125446

IUPAC3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(O)c(N)c2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-11-4-6-12(7-5-11)17(2)21(19,20)13-8-9-15(18)14(16)10-13/h8-12,18H,3-7,16H2,1-2H3
InChIKeyKCFGVBYTGLFVBE-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.56
Rot. Bonds4

About 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide

3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide (PubChem CID 61125446) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
PubChem CID61125446
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(O)c(N)c2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-11-4-6-12(7-5-11)17(2)21(19,20)13-8-9-15(18)14(16)10-13/h8-12,18H,3-7,16H2,1-2H3
InChIKeyKCFGVBYTGLFVBE-UHFFFAOYSA-N
XLogP2.56
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
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

3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
CID 43263873
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
2-amino-N-(4-ethylcyclohexyl)-N-methylpyrimidine-5-sulfonamide
CID 62153482
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
4-cyano-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61449550
2-amino-4-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 63402365
3-amino-4-hydroxy-N-(1-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
CID 104550970
5-amino-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
CID 61125255
3-amino-N-(4-ethylcyclohexyl)-N-methylpyridine-2-sulfonamide
CID 103305584
2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylphenol
CID 43585652
3-amino-4-hydroxy-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490220
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide (CID 61125446) is 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide is CCC1CCC(N(C)S(=O)(=O)c2ccc(O)c(N)c2)CC1.
What is the InChIKey of 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is KCFGVBYTGLFVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-11-4-6-12(7-5-11)17(2)21(19,20)13-8-9-15(18)14(16)10-13/h8-12,18H,3-7,16H2,1-2H3.
What are the key properties of 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide?
3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 61125446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).