N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride

C15H24ClN3O4S — CID 120713687

IUPACN-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NC(CN)C2CCCC2)c1[N+](=O)[O-].Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-10-7-8-11(2)15(14(10)18(19)20)23(21,22)17-13(9-16)12-5-3-4-6-12;/h7-8,12-13,17H,3-6,9,16H2,1-2H3;1H
InChIKeySGLCPXNPYSARMD-UHFFFAOYSA-N
MW377.89 g/mol
LogP2.43
Rot. Bonds6

About N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride (PubChem CID 120713687) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
PubChem CID120713687
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC NameN-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NC(CN)C2CCCC2)c1[N+](=O)[O-].Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-10-7-8-11(2)15(14(10)18(19)20)23(21,22)17-13(9-16)12-5-3-4-6-12;/h7-8,12-13,17H,3-6,9,16H2,1-2H3;1H
InChIKeySGLCPXNPYSARMD-UHFFFAOYSA-N
XLogP2.43
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 52.43
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-6-nitrobenzenesulfonamide;hydrochloride
CID 119983834
N-(2-amino-1-cyclopentylethyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 86820092
N-(2-amino-1-cyclohexylethyl)-2-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119983831
1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309514
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclopentylethyl)-2-ethyl-5-nitrobenzenesulfonamide
CID 120585203
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-nitrobenzenesulfonamide;hydrochloride
CID 119983590
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
CID 119983696
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopentylethyl)-2-methoxy-4,6-dimethylbenzenesulfonamide
CID 120713602
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride (CID 120713687) is N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride is Cc1ccc(C)c(S(=O)(=O)NC(CN)C2CCCC2)c1[N+](=O)[O-].Cl.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride?
The InChIKey is SGLCPXNPYSARMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-10-7-8-11(2)15(14(10)18(19)20)23(21,22)17-13(9-16)12-5-3-4-6-12;/h7-8,12-13,17H,3-6,9,16H2,1-2H3;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 2.43, 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)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120713687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).