3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide

C15H24N2O2S — CID 60919745

IUPAC3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC2CCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-12-9-14(16)11-15(10-12)20(18,19)17-8-7-13-5-3-2-4-6-13/h9-11,13,17H,2-8,16H2,1H3
InChIKeyPBBQJHRSURBNER-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.83
Rot. Bonds5

About 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide

3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide (PubChem CID 60919745) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
PubChem CID60919745
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NCCC2CCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-12-9-14(16)11-15(10-12)20(18,19)17-8-7-13-5-3-2-4-6-13/h9-11,13,17H,2-8,16H2,1H3
InChIKeyPBBQJHRSURBNER-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide (CID 60919745) is 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NCCC2CCCCC2)c1.
What is the InChIKey of 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide?
The InChIKey is PBBQJHRSURBNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-9-14(16)11-15(10-12)20(18,19)17-8-7-13-5-3-2-4-6-13/h9-11,13,17H,2-8,16H2,1H3.
What are the key properties of 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide?
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 60919745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).