2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide

C15H12F2N2O4S — CID 141143037

IUPAC2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide
SMILESCS(=O)Nc1ccc2oc3ccc(OC(F)F)c(C(N)=O)c3c2c1
InChIInChI=1S/C15H12F2N2O4S/c1-24(21)19-7-2-3-9-8(6-7)12-10(22-9)4-5-11(23-15(16)17)13(12)14(18)20/h2-6,15,19H,1H3,(H2,18,20)
InChIKeyRNSBFTOAROASNL-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.99
Rot. Bonds5

About 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide

2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide (PubChem CID 141143037) has the molecular formula C15H12F2N2O4S and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide
PubChem CID141143037
Molecular FormulaC15H12F2N2O4S
Molecular Weight354.33 g/mol
Exact Mass354.05
IUPAC Name2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide
SMILESCS(=O)Nc1ccc2oc3ccc(OC(F)F)c(C(N)=O)c3c2c1
InChIInChI=1S/C15H12F2N2O4S/c1-24(21)19-7-2-3-9-8(6-7)12-10(22-9)4-5-11(23-15(16)17)13(12)14(18)20/h2-6,15,19H,1H3,(H2,18,20)
InChIKeyRNSBFTOAROASNL-UHFFFAOYSA-N
XLogP2.99
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide?
The IUPAC name of 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide (CID 141143037) is 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide.
What is the SMILES notation for 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide?
The canonical SMILES for 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide is CS(=O)Nc1ccc2oc3ccc(OC(F)F)c(C(N)=O)c3c2c1.
What is the InChIKey of 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide?
The InChIKey is RNSBFTOAROASNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4S/c1-24(21)19-7-2-3-9-8(6-7)12-10(22-9)4-5-11(23-15(16)17)13(12)14(18)20/h2-6,15,19H,1H3,(H2,18,20).
What are the key properties of 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide?
2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-8-(methanesulfinamido)dibenzofuran-1-carboxamide is sourced from PubChem (CID 141143037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).