N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide

C15H23N3O4S — CID 120585203

IUPACN-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide
SMILESCCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C15H23N3O4S/c1-2-11-7-8-13(18(19)20)9-15(11)23(21,22)17-14(10-16)12-5-3-4-6-12/h7-9,12,14,17H,2-6,10,16H2,1H3
InChIKeyLREKNDNJSUQIPT-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.95
Rot. Bonds7

About N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide

N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide (PubChem CID 120585203) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide
PubChem CID120585203
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide
SMILESCCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C15H23N3O4S/c1-2-11-7-8-13(18(19)20)9-15(11)23(21,22)17-14(10-16)12-5-3-4-6-12/h7-9,12,14,17H,2-6,10,16H2,1H3
InChIKeyLREKNDNJSUQIPT-UHFFFAOYSA-N
XLogP1.95
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.95
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'}

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119983831
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
N-(2-amino-1-cyclopropylethyl)-2-chloro-4-nitrobenzenesulfonamide
CID 65188609
N-(2-amino-1-cyclopentylethyl)-7-nitro-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120585219
N-[1-(aminomethyl)cyclopentyl]-2-ethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 119981059
2-[(2-ethyl-5-nitrophenyl)sulfonylamino]-2-phenylacetamide
CID 86854819
N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120713687
2-ethyl-5-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974535
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide
CID 119983591
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
2-[(2-amino-1-cyclopentylethyl)amino]-5-nitrobenzonitrile
CID 106738095

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide (CID 120585203) is N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide is CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(CN)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide?
The InChIKey is LREKNDNJSUQIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-2-11-7-8-13(18(19)20)9-15(11)23(21,22)17-14(10-16)12-5-3-4-6-12/h7-9,12,14,17H,2-6,10,16H2,1H3.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide?
N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 1.95, 7 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)-2-ethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 120585203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).