3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide

C15H24N2O2S — CID 107416445

IUPAC3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCC2C)cc1N
InChIInChI=1S/C15H24N2O2S/c1-3-12-7-8-14(9-15(12)16)20(18,19)17-10-13-6-4-5-11(13)2/h7-9,11,13,17H,3-6,10,16H2,1-2H3
InChIKeyJQBUOTSTZPNRNL-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.55
Rot. Bonds5

About 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide

3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 107416445) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID107416445
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCC2C)cc1N
InChIInChI=1S/C15H24N2O2S/c1-3-12-7-8-14(9-15(12)16)20(18,19)17-10-13-6-4-5-11(13)2/h7-9,11,13,17H,3-6,10,16H2,1-2H3
InChIKeyJQBUOTSTZPNRNL-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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

3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422505
3-amino-4-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 115421485
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107418696
3-fluoro-N-[(2-methylcyclopentyl)methyl]-4-nitrobenzenesulfonamide
CID 107417852
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-ethylbenzenesulfonamide
CID 62977562
5-[(2-methylcyclopentyl)methylsulfamoyl]pyridine-2-carbothioamide
CID 107418739
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
4-amino-2,6-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416425
2-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide (CID 107416445) is 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CCCC2C)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is JQBUOTSTZPNRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-12-7-8-14(9-15(12)16)20(18,19)17-10-13-6-4-5-11(13)2/h7-9,11,13,17H,3-6,10,16H2,1-2H3.
What are the key properties of 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide?
3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 107416445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).