4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide

C18H16N2O5S — CID 2946307

IUPAC4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)cc1
InChIInChI=1S/C18H16N2O5S/c1-2-25-13-9-11-14(12-10-13)26(23,24)19-17-7-3-6-16-15(17)5-4-8-18(16)20(21)22/h3-12,19H,2H2,1H3
InChIKeyGWKDKTZTHFNGJX-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.95
Rot. Bonds6

About 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide

4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide (PubChem CID 2946307) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
PubChem CID2946307
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)cc1
InChIInChI=1S/C18H16N2O5S/c1-2-25-13-9-11-14(12-10-13)26(23,24)19-17-7-3-6-16-15(17)5-4-8-18(16)20(21)22/h3-12,19H,2H2,1H3
InChIKeyGWKDKTZTHFNGJX-UHFFFAOYSA-N
XLogP3.95
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
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-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 2945239
4-ethoxy-N-[2-(2-nitroanilino)ethyl]benzenesulfonamide
CID 9031176
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(2-methyl-3-nitrophenyl)acetamide
CID 3962831
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-(2-nitrophenoxy)acetamide
CID 4931088
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
N-(2-ethoxyphenyl)-4-nitrobenzenesulfonamide
CID 779776
4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 30396497
N-(2-butylphenyl)-4-ethoxybenzenesulfonamide
CID 22774366
N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 26949935
4-ethoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734192
methyl 3-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzoate
CID 894262

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide (CID 2946307) is 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)cc1.
What is the InChIKey of 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide?
The InChIKey is GWKDKTZTHFNGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-2-25-13-9-11-14(12-10-13)26(23,24)19-17-7-3-6-16-15(17)5-4-8-18(16)20(21)22/h3-12,19H,2H2,1H3.
What are the key properties of 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide?
4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide has a molecular weight of 372.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 2946307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).