N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide

C20H13Cl2F2N3O5S — CID 11387409

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1
InChIInChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)
InChIKeyOKFDRAHPFKMAJH-UHFFFAOYSA-N
MW516.31 g/mol
LogP5.51
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide

N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide (PubChem CID 11387409) has the molecular formula C20H13Cl2F2N3O5S and a molecular weight of 516.31 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide
PubChem CID11387409
Molecular FormulaC20H13Cl2F2N3O5S
Molecular Weight516.31 g/mol
Exact Mass514.99
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide
SMILESCS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1
InChIInChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28)
InChIKeyOKFDRAHPFKMAJH-UHFFFAOYSA-N
XLogP5.51
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.31
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide (CID 11387409) is N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide is CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide?
The InChIKey is OKFDRAHPFKMAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F2N3O5S/c1-33(29,30)27-9-2-4-14-11(6-9)16-10(3-5-15(18(16)31-14)32-20(23)24)19(28)26-17-12(21)7-25-8-13(17)22/h2-8,20,27H,1H3,(H,25,26,28).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide has a molecular weight of 516.31 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(methanesulfonamido)dibenzofuran-1-carboxamide is sourced from PubChem (CID 11387409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).