N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide

C18H16N2O5S — CID 26543227

IUPACN-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H16N2O5S/c21-20(22)17-7-3-4-8-18(17)26(23,24)19-11-12-25-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13,19H,11-12H2
InChIKeyDLIKOHZLUIABMH-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.11
Rot. Bonds7

About N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide

N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide (PubChem CID 26543227) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide
PubChem CID26543227
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H16N2O5S/c21-20(22)17-7-3-4-8-18(17)26(23,24)19-11-12-25-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13,19H,11-12H2
InChIKeyDLIKOHZLUIABMH-UHFFFAOYSA-N
XLogP3.11
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.11
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-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
2-methyl-3-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609002
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
4-methyl-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 26543228
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide
CID 22506600
N-(2-naphthalen-2-yloxyethyl)ethenesulfonamide
CID 86298279
N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide
CID 26541449
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
CID 26448348
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide (CID 26543227) is N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc2ccccc2c1.
What is the InChIKey of N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide?
The InChIKey is DLIKOHZLUIABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-20(22)17-7-3-4-8-18(17)26(23,24)19-11-12-25-16-10-9-14-5-1-2-6-15(14)13-16/h1-10,13,19H,11-12H2.
What are the key properties of N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide?
N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide has a molecular weight of 372.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 26543227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).