N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide

C12H18N4O4S — CID 43142170

IUPACN-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C12H18N4O4S/c13-14-11-7-6-10(16(17)18)8-12(11)21(19,20)15-9-4-2-1-3-5-9/h6-9,14-15H,1-5,13H2
InChIKeyCXSLCIAAZCPWMK-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.49
Rot. Bonds5

About N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide

N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide (PubChem CID 43142170) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
PubChem CID43142170
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC NameN-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C12H18N4O4S/c13-14-11-7-6-10(16(17)18)8-12(11)21(19,20)15-9-4-2-1-3-5-9/h6-9,14-15H,1-5,13H2
InChIKeyCXSLCIAAZCPWMK-UHFFFAOYSA-N
XLogP1.49
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
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-chloro-N-cyclohexyl-5-nitrobenzenesulfonamide
CID 4115562
N-cyclobutyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 62415030
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
2-(cyclooctylamino)-5-nitrobenzenesulfonamide
CID 44586648
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
N-cyclobutyl-2-(ethylamino)-4-nitrobenzenesulfonamide
CID 62413872
N-cycloheptyl-3-nitrobenzenesulfonamide
CID 19203727
2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
CID 62146579
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
2-hydrazinyl-5-nitro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 43552599
N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)cycloheptanamine
CID 18074906

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide (CID 43142170) is N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide is NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide?
The InChIKey is CXSLCIAAZCPWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c13-14-11-7-6-10(16(17)18)8-12(11)21(19,20)15-9-4-2-1-3-5-9/h6-9,14-15H,1-5,13H2.
What are the key properties of N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide?
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43142170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).