3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide

C13H20N2O3S — CID 43105855

IUPAC3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1N
InChIInChI=1S/C13H20N2O3S/c1-18-13-8-7-11(9-12(13)14)19(16,17)15-10-5-3-2-4-6-10/h7-10,15H,2-6,14H2,1H3
InChIKeyXGSZEJAXNUZXEQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.89
Rot. Bonds4

About 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide

3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide (PubChem CID 43105855) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
PubChem CID43105855
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1N
InChIInChI=1S/C13H20N2O3S/c1-18-13-8-7-11(9-12(13)14)19(16,17)15-10-5-3-2-4-6-10/h7-10,15H,2-6,14H2,1H3
InChIKeyXGSZEJAXNUZXEQ-UHFFFAOYSA-N
XLogP1.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.89
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-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
3-amino-4-methoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542864
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
3-amino-N-(2,2-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 79865271
N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100608093
N-(4-aminocyclohexyl)-3-bromo-4-methoxybenzenesulfonamide
CID 62319082
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
3-bromo-4-methoxy-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79118101
N-cyclohexyl-4-methoxy-3-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 50747629

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide (CID 43105855) is 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCCC2)cc1N.
What is the InChIKey of 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide?
The InChIKey is XGSZEJAXNUZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-13-8-7-11(9-12(13)14)19(16,17)15-10-5-3-2-4-6-10/h7-10,15H,2-6,14H2,1H3.
What are the key properties of 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide?
3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43105855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).