2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide

C15H24N2O2S — CID 62407142

IUPAC2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC(C)C1CCCCC1
InChIInChI=1S/C15H24N2O2S/c1-11-7-6-10-14(16)15(11)20(18,19)17-12(2)13-8-4-3-5-9-13/h6-7,10,12-13,17H,3-5,8-9,16H2,1-2H3
InChIKeyPUHVHHXZIJXWGC-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.82
Rot. Bonds4

About 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide

2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide (PubChem CID 62407142) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
PubChem CID62407142
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC(C)C1CCCCC1
InChIInChI=1S/C15H24N2O2S/c1-11-7-6-10-14(16)15(11)20(18,19)17-12(2)13-8-4-3-5-9-13/h6-7,10,12-13,17H,3-5,8-9,16H2,1-2H3
InChIKeyPUHVHHXZIJXWGC-UHFFFAOYSA-N
XLogP2.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
CID 62406259
2-amino-N-cyclopropyl-6-methylbenzenesulfonamide
CID 43452334
3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
CID 106505416
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide
CID 97327429
2,6-dichloro-N-(1-cyclobutylethyl)benzenesulfonamide
CID 75469798
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 54950915
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-6-methylbenzenesulfonamide
CID 63294178

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide (CID 62407142) is 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NC(C)C1CCCCC1.
What is the InChIKey of 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide?
The InChIKey is PUHVHHXZIJXWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-7-6-10-14(16)15(11)20(18,19)17-12(2)13-8-4-3-5-9-13/h6-7,10,12-13,17H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide?
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 62407142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).