N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide

C15H22N2O5S — CID 26541449

IUPACN-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCCCOC1CCCCC1
InChIInChI=1S/C15H22N2O5S/c18-17(19)14-9-4-5-10-15(14)23(20,21)16-11-6-12-22-13-7-2-1-3-8-13/h4-5,9-10,13,16H,1-3,6-8,11-12H2
InChIKeyVSZVIFVMDRWDSL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.61
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide

N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide (PubChem CID 26541449) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide
PubChem CID26541449
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCCCOC1CCCCC1
InChIInChI=1S/C15H22N2O5S/c18-17(19)14-9-4-5-10-15(14)23(20,21)16-11-6-12-22-13-7-2-1-3-8-13/h4-5,9-10,13,16H,1-3,6-8,11-12H2
InChIKeyVSZVIFVMDRWDSL-UHFFFAOYSA-N
XLogP2.61
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-nitro-N-[6-(oxan-2-yloxy)hexyl]benzenesulfonamide
CID 101056106
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-cyclopentyloxy-2-nitrobenzenesulfonamide
CID 83228764
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272
2-bromo-N-(2-cyclohexyloxyethyl)benzenesulfonamide
CID 61059255
4-(3-cyclohexyloxypropylamino)-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 55393883
N-(3-cyclohexyloxypropyl)-2-(2-nitrophenoxy)acetamide
CID 51222276
N-[2-(4-bromocyclohexyl)ethyl]-2-nitrobenzenesulfonamide
CID 171743231
2-nitro-N-[3-[(2-nitrophenyl)sulfonyl-[2-[(2-nitrophenyl)sulfonyl-[3-[(2-nitrophenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 11104964
N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145151

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide (CID 26541449) is N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide?
The InChIKey is VSZVIFVMDRWDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c18-17(19)14-9-4-5-10-15(14)23(20,21)16-11-6-12-22-13-7-2-1-3-8-13/h4-5,9-10,13,16H,1-3,6-8,11-12H2.
What are the key properties of N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide?
N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 26541449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).