2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide

C12H17N3O4S — CID 62143602

IUPAC2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C12H17N3O4S/c13-11-6-5-10(15(16)17)7-12(11)20(18,19)14-8-9-3-1-2-4-9/h5-7,9,14H,1-4,8,13H2
InChIKeyXVYJSSHVOOOCMS-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.65
Rot. Bonds5

About 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide

2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide (PubChem CID 62143602) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide
PubChem CID62143602
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide
SMILESNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C12H17N3O4S/c13-11-6-5-10(15(16)17)7-12(11)20(18,19)14-8-9-3-1-2-4-9/h5-7,9,14H,1-4,8,13H2
InChIKeyXVYJSSHVOOOCMS-UHFFFAOYSA-N
XLogP1.65
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide 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

2-amino-N-(cyclopentylmethyl)-4-nitrobenzenesulfonamide
CID 62143603
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
2-amino-4-nitro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63706934
N-(cyclopentylmethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 43066033
3-amino-N-(cyclopentylmethyl)-2-nitrobenzenesulfonamide
CID 115993381
2-chloro-5-nitro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63711095
N-(cyclopropylmethyl)-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62149900
2-amino-5-nitro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62148380
1-N-(cyclobutylmethyl)-4-nitrobenzene-1,2-diamine
CID 62507452
5-bromo-N-(cyclopentylmethyl)-2-nitrobenzenesulfonamide
CID 61016024
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
2-amino-N-(2,2-dimethylcyclopentyl)-5-nitrobenzenesulfonamide
CID 79870393

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide (CID 62143602) is 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide is Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide?
The InChIKey is XVYJSSHVOOOCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c13-11-6-5-10(15(16)17)7-12(11)20(18,19)14-8-9-3-1-2-4-9/h5-7,9,14H,1-4,8,13H2.
What are the key properties of 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide?
2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide has a molecular weight of 299.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclopentylmethyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 62143602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).