4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide

C15H24N2O3S — CID 82903335

IUPAC4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(OC2CCCC(C)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-17-21(18,19)13-7-8-14(16)15(10-13)20-12-6-4-5-11(2)9-12/h7-8,10-12,17H,3-6,9,16H2,1-2H3
InChIKeyVAGGRYDRVJDAKS-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.52
Rot. Bonds5

About 4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide

4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide (PubChem CID 82903335) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide
PubChem CID82903335
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(OC2CCCC(C)C2)c1
InChIInChI=1S/C15H24N2O3S/c1-3-17-21(18,19)13-7-8-14(16)15(10-13)20-12-6-4-5-11(2)9-12/h7-8,10-12,17H,3-6,9,16H2,1-2H3
InChIKeyVAGGRYDRVJDAKS-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-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502
2-cyclobutyloxy-5-(ethylsulfamoyl)benzoic acid
CID 69290489
4-amino-3-(3-methylcyclohexyl)oxybenzonitrile
CID 113444310
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
CID 82901248
4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 82901044
4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
4-amino-N-ethyl-3-(2-methylphenoxy)benzenesulfonamide
CID 82903326
4-amino-3-[cyclobutylmethyl(methyl)amino]-N-ethylbenzenesulfonamide
CID 82900867
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide (CID 82903335) is 4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(OC2CCCC(C)C2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide?
The InChIKey is VAGGRYDRVJDAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-17-21(18,19)13-7-8-14(16)15(10-13)20-12-6-4-5-11(2)9-12/h7-8,10-12,17H,3-6,9,16H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide?
4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide 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-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide is sourced from PubChem (CID 82903335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).