2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide

C18H14N2O6S — CID 155539902

IUPAC2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide
SMILESO=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O6S/c21-18(12-26-16-9-8-13-4-1-2-5-14(13)10-16)19-27(24,25)17-7-3-6-15(11-17)20(22)23/h1-11H,12H2,(H,19,21)
InChIKeyUEVRHJZGZVDCKD-UHFFFAOYSA-N
MW386.39 g/mol
LogP2.63
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide

2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide (PubChem CID 155539902) has the molecular formula C18H14N2O6S and a molecular weight of 386.39 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide
PubChem CID155539902
Molecular FormulaC18H14N2O6S
Molecular Weight386.39 g/mol
Exact Mass386.06
IUPAC Name2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide
SMILESO=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O6S/c21-18(12-26-16-9-8-13-4-1-2-5-14(13)10-16)19-27(24,25)17-7-3-6-15(11-17)20(22)23/h1-11H,12H2,(H,19,21)
InChIKeyUEVRHJZGZVDCKD-UHFFFAOYSA-N
XLogP2.63
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 52.63
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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Related Compounds

CID 70684757
CID 70684757
CID 155541135
CID 155541135
CID 3917864
CID 3917864
CID 4794702
CID 4794702
CID 155530698
CID 155530698
CID 155556641
CID 155556641
CID 3950308
CID 3950308
CID 155544849
CID 155544849
CID 4805645
CID 4805645
CID 156858950
CID 156858950
CID 156858951
CID 156858951
CID 2961634
CID 2961634

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide (CID 155539902) is 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide is O=C(COc1ccc2ccccc2c1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide?
The InChIKey is UEVRHJZGZVDCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O6S/c21-18(12-26-16-9-8-13-4-1-2-5-14(13)10-16)19-27(24,25)17-7-3-6-15(11-17)20(22)23/h1-11H,12H2,(H,19,21).
What are the key properties of 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide?
2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide has a molecular weight of 386.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfonylacetamide is sourced from PubChem (CID 155539902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).