N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide

C18H15FN2O4S — CID 155530698

IUPACN-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
SMILESNc1ccc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C18H15FN2O4S/c19-16-10-15(7-8-17(16)20)26(23,24)21-18(22)11-25-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11,20H2,(H,21,22)
InChIKeyPAKQMEJSMLOPDC-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.44
Rot. Bonds5

About N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide

N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide (PubChem CID 155530698) has the molecular formula C18H15FN2O4S and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
PubChem CID155530698
Molecular FormulaC18H15FN2O4S
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC NameN-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide
SMILESNc1ccc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)cc1F
InChIInChI=1S/C18H15FN2O4S/c19-16-10-15(7-8-17(16)20)26(23,24)21-18(22)11-25-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11,20H2,(H,21,22)
InChIKeyPAKQMEJSMLOPDC-UHFFFAOYSA-N
XLogP2.44
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide (CID 155530698) is N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide is Nc1ccc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)cc1F.
What is the InChIKey of N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
The InChIKey is PAKQMEJSMLOPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S/c19-16-10-15(7-8-17(16)20)26(23,24)21-18(22)11-25-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11,20H2,(H,21,22).
What are the key properties of N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide?
N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide has a molecular weight of 374.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-fluorophenyl)sulfonyl-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 155530698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).