N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride

C13H20ClN3O4S — CID 86820092

IUPACN-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1
InChIInChI=1S/C13H19N3O4S.ClH/c14-9-13(10-3-1-2-4-10)15-21(19,20)12-7-5-11(6-8-12)16(17)18;/h5-8,10,13,15H,1-4,9,14H2;1H
InChIKeyZEJGJLGVLJDENK-UHFFFAOYSA-N
MW349.84 g/mol
LogP1.81
Rot. Bonds6

About N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride (PubChem CID 86820092) has the molecular formula C13H20ClN3O4S and a molecular weight of 349.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
PubChem CID86820092
Molecular FormulaC13H20ClN3O4S
Molecular Weight349.84 g/mol
Exact Mass349.09
IUPAC NameN-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1
InChIInChI=1S/C13H19N3O4S.ClH/c14-9-13(10-3-1-2-4-10)15-21(19,20)12-7-5-11(6-8-12)16(17)18;/h5-8,10,13,15H,1-4,9,14H2;1H
InChIKeyZEJGJLGVLJDENK-UHFFFAOYSA-N
XLogP1.81
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride 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

N-(2-amino-1-cyclohexylethyl)-2-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119983831
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide
CID 120585203
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119983590
N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide
CID 65188609
N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120713687
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119983591
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120713646

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride (CID 86820092) is N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is ZEJGJLGVLJDENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S.ClH/c14-9-13(10-3-1-2-4-10)15-21(19,20)12-7-5-11(6-8-12)16(17)18;/h5-8,10,13,15H,1-4,9,14H2;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 349.84 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 86820092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).