3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide

C14H22N2O2S — CID 43370862

IUPAC3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCC2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-2-12-7-8-13(9-14(12)15)19(17,18)16-10-11-5-3-4-6-11/h7-9,11,16H,2-6,10,15H2,1H3
InChIKeyPLLQDUWVBHVYAA-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide

3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide (PubChem CID 43370862) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
PubChem CID43370862
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CCCC2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-2-12-7-8-13(9-14(12)15)19(17,18)16-10-11-5-3-4-6-11/h7-9,11,16H,2-6,10,15H2,1H3
InChIKeyPLLQDUWVBHVYAA-UHFFFAOYSA-N
XLogP2.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416445
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79352793
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
3-amino-N-(cyclopentylmethyl)-4,5-dimethylbenzenesulfonamide
CID 43370956
3-amino-4-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 115328868
2-N,7-N-bis(cyclopentylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 172697362
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide (CID 43370862) is 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CCCC2)cc1N.
What is the InChIKey of 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide?
The InChIKey is PLLQDUWVBHVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-12-7-8-13(9-14(12)15)19(17,18)16-10-11-5-3-4-6-11/h7-9,11,16H,2-6,10,15H2,1H3.
What are the key properties of 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide?
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 43370862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).