5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide

C18H13F2NO4S — CID 155214285

IUPAC5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(F)c(F)c3)cccc2c1
InChIInChI=1S/C18H13F2NO4S/c1-26(23,24)21-18(22)12-5-7-14-11(9-12)3-2-4-17(14)25-13-6-8-15(19)16(20)10-13/h2-10H,1H3,(H,21,22)
InChIKeyUPZVTMMTHFBPOK-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.60
Rot. Bonds4

About 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide

5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide (PubChem CID 155214285) has the molecular formula C18H13F2NO4S and a molecular weight of 377.37 g/mol. Its IUPAC name is 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide
PubChem CID155214285
Molecular FormulaC18H13F2NO4S
Molecular Weight377.37 g/mol
Exact Mass377.05
IUPAC Name5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(F)c(F)c3)cccc2c1
InChIInChI=1S/C18H13F2NO4S/c1-26(23,24)21-18(22)12-5-7-14-11(9-12)3-2-4-17(14)25-13-6-8-15(19)16(20)10-13/h2-10H,1H3,(H,21,22)
InChIKeyUPZVTMMTHFBPOK-UHFFFAOYSA-N
XLogP3.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide?
The IUPAC name of 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide (CID 155214285) is 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide is CS(=O)(=O)NC(=O)c1ccc2c(Oc3ccc(F)c(F)c3)cccc2c1.
What is the InChIKey of 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide?
The InChIKey is UPZVTMMTHFBPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO4S/c1-26(23,24)21-18(22)12-5-7-14-11(9-12)3-2-4-17(14)25-13-6-8-15(19)16(20)10-13/h2-10H,1H3,(H,21,22).
What are the key properties of 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide?
5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenoxy)-N-methylsulfonylnaphthalene-2-carboxamide is sourced from PubChem (CID 155214285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).