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

C15H24N2O3S — CID 82903502

IUPAC4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
SMILESCCC1CCCC(Oc2cc(S(=O)(=O)NC)ccc2N)C1
InChIInChI=1S/C15H24N2O3S/c1-3-11-5-4-6-12(9-11)20-15-10-13(7-8-14(15)16)21(18,19)17-2/h7-8,10-12,17H,3-6,9,16H2,1-2H3
InChIKeyHLXGAFDINSYOAI-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.52
Rot. Bonds5

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

4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide (PubChem CID 82903502) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
PubChem CID82903502
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
SMILESCCC1CCCC(Oc2cc(S(=O)(=O)NC)ccc2N)C1
InChIInChI=1S/C15H24N2O3S/c1-3-11-5-4-6-12(9-11)20-15-10-13(7-8-14(15)16)21(18,19)17-2/h7-8,10-12,17H,3-6,9,16H2,1-2H3
InChIKeyHLXGAFDINSYOAI-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide
CID 82903335
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538
4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
CID 82901614
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
CID 82901248
4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
CID 82900892
3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
CID 83000173
3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide
CID 70648323
3-amino-N-methyl-4-(oxan-4-yloxy)benzenesulfonamide
CID 61268267
5-bromo-2-(3-ethylcyclohexyl)oxy-4-fluoroaniline
CID 66109591
3-amino-N-(3-ethylcyclohexyl)-4-hydroxybenzenesulfonamide
CID 64748214
4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
CID 114416205

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide (CID 82903502) is 4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide is CCC1CCCC(Oc2cc(S(=O)(=O)NC)ccc2N)C1.
What is the InChIKey of 4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide?
The InChIKey is HLXGAFDINSYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-11-5-4-6-12(9-11)20-15-10-13(7-8-14(15)16)21(18,19)17-2/h7-8,10-12,17H,3-6,9,16H2,1-2H3.
What are the key properties of 4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide?
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 82903502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).