N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide

C12H18N4O4S — CID 43267398

IUPACN-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C12H18N4O4S/c1-15(9-4-2-3-5-9)21(19,20)12-7-6-10(16(17)18)8-11(12)14-13/h6-9,14H,2-5,13H2,1H3
InChIKeyDGKOSBIDLOSXPL-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.44
Rot. Bonds5

About N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide

N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide (PubChem CID 43267398) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
PubChem CID43267398
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC NameN-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C12H18N4O4S/c1-15(9-4-2-3-5-9)21(19,20)12-7-6-10(16(17)18)8-11(12)14-13/h6-9,14H,2-5,13H2,1H3
InChIKeyDGKOSBIDLOSXPL-UHFFFAOYSA-N
XLogP1.44
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
CID 43270705
N-cyclopentyl-3-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 82847526
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
2-chloro-N-methyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 43606930
N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43569509
[2-(3-methylpiperidin-1-yl)sulfonyl-5-nitrophenyl]hydrazine
CID 43142204
2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 43325303
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
(E)-N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 6218817
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 62546828

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide (CID 43267398) is N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide is CN(C1CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN.
What is the InChIKey of N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The InChIKey is DGKOSBIDLOSXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-15(9-4-2-3-5-9)21(19,20)12-7-6-10(16(17)18)8-11(12)14-13/h6-9,14H,2-5,13H2,1H3.
What are the key properties of N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 43267398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).