5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide

C15H24N2O3S — CID 61467171

IUPAC5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(N)ccc2OC)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-11-4-7-13(8-5-11)17-21(18,19)15-10-12(16)6-9-14(15)20-2/h6,9-11,13,17H,3-5,7-8,16H2,1-2H3
InChIKeyCQRJGXIKMZYRTM-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.52
Rot. Bonds5

About 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide

5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide (PubChem CID 61467171) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
PubChem CID61467171
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide
SMILESCCC1CCC(NS(=O)(=O)c2cc(N)ccc2OC)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-11-4-7-13(8-5-11)17-21(18,19)15-10-12(16)6-9-14(15)20-2/h6,9-11,13,17H,3-5,7-8,16H2,1-2H3
InChIKeyCQRJGXIKMZYRTM-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

5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
(3R)-3-[(5-amino-2-methoxyphenyl)sulfonylamino]pyrrolidine-1-carboxylic acid
CID 68799883
N-(5-amino-2-methylphenyl)-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 120569275
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxybenzenesulfonamide
CID 43108428
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464
5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
CID 43256436
5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
5-amino-N-(2,2-dimethylbutyl)-2-methoxybenzenesulfonamide
CID 103460090

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide (CID 61467171) is 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide is CCC1CCC(NS(=O)(=O)c2cc(N)ccc2OC)CC1.
What is the InChIKey of 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide?
The InChIKey is CQRJGXIKMZYRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-11-4-7-13(8-5-11)17-21(18,19)15-10-12(16)6-9-14(15)20-2/h6,9-11,13,17H,3-5,7-8,16H2,1-2H3.
What are the key properties of 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide?
5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide 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 5-amino-N-(4-ethylcyclohexyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 61467171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).