N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide

C18H13FN2O6S — CID 155556641

IUPACN-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C18H13FN2O6S/c19-16-10-15(7-8-17(16)21(23)24)28(25,26)20-18(22)11-27-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,20,22)
InChIKeyDLZLKZTWFPTPQV-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.77
Rot. Bonds6

About N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide

N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide (PubChem CID 155556641) has the molecular formula C18H13FN2O6S and a molecular weight of 404.38 g/mol. Its IUPAC name is N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
PubChem CID155556641
Molecular FormulaC18H13FN2O6S
Molecular Weight404.38 g/mol
Exact Mass404.05
IUPAC NameN-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C18H13FN2O6S/c19-16-10-15(7-8-17(16)21(23)24)28(25,26)20-18(22)11-27-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,20,22)
InChIKeyDLZLKZTWFPTPQV-UHFFFAOYSA-N
XLogP2.77
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide (CID 155556641) is N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
The InChIKey is DLZLKZTWFPTPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O6S/c19-16-10-15(7-8-17(16)21(23)24)28(25,26)20-18(22)11-27-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,20,22).
What are the key properties of N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide has a molecular weight of 404.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-nitrophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 155556641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).