5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide

C16H26N2O2S — CID 61113686

IUPAC5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)C1CCCCC1C
InChIInChI=1S/C16H26N2O2S/c1-4-13-9-10-14(17)11-16(13)21(19,20)18(3)15-8-6-5-7-12(15)2/h9-12,15H,4-8,17H2,1-3H3
InChIKeyZRTOALJRELPYBW-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.03
Rot. Bonds4

About 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide

5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 61113686) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID61113686
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)C1CCCCC1C
InChIInChI=1S/C16H26N2O2S/c1-4-13-9-10-14(17)11-16(13)21(19,20)18(3)15-8-6-5-7-12(15)2/h9-12,15H,4-8,17H2,1-3H3
InChIKeyZRTOALJRELPYBW-UHFFFAOYSA-N
XLogP3.03
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
5-amino-N-cyclopentyl-2-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61138671
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
CID 43256238
5-amino-N-cyclooctyl-2-ethylbenzenesulfonamide
CID 43256436
5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498553
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-methyl-4-[methyl-(2-methylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 62805034
5-amino-2-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213608

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide (CID 61113686) is 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N(C)C1CCCCC1C.
What is the InChIKey of 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is ZRTOALJRELPYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-13-9-10-14(17)11-16(13)21(19,20)18(3)15-8-6-5-7-12(15)2/h9-12,15H,4-8,17H2,1-3H3.
What are the key properties of 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 61113686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).