N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide

C21H17Cl2N3O5S — CID 11202725

IUPACN-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc2oc3c(OC)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1
InChIInChI=1S/C21H17Cl2N3O5S/c1-3-32(28,29)26-11-4-6-16-13(8-11)18-12(5-7-17(30-2)20(18)31-16)21(27)25-19-14(22)9-24-10-15(19)23/h4-10,26H,3H2,1-2H3,(H,24,25,27)
InChIKeyNZYBGVUXFLCHRW-UHFFFAOYSA-N
MW494.36 g/mol
LogP5.31
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide

N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide (PubChem CID 11202725) has the molecular formula C21H17Cl2N3O5S and a molecular weight of 494.36 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
PubChem CID11202725
Molecular FormulaC21H17Cl2N3O5S
Molecular Weight494.36 g/mol
Exact Mass493.03
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide
SMILESCCS(=O)(=O)Nc1ccc2oc3c(OC)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1
InChIInChI=1S/C21H17Cl2N3O5S/c1-3-32(28,29)26-11-4-6-16-13(8-11)18-12(5-7-17(30-2)20(18)31-16)21(27)25-19-14(22)9-24-10-15(19)23/h4-10,26H,3H2,1-2H3,(H,24,25,27)
InChIKeyNZYBGVUXFLCHRW-UHFFFAOYSA-N
XLogP5.31
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.36
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide with MolForge

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Related Compounds

sodium 2-[[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]amino]-2-oxoacetate
CID 23686730
8-(cyclopropanecarbonylamino)-N-(3,5-dichloro-4-pyridinyl)-4-methoxydibenzofuran-1-carboxamide
CID 11202218
N-(3,5-dichloro-4-pyridinyl)-6-(ethylsulfonylamino)-1-methoxy-9-methylcarbazole-4-carboxamide
CID 11156433
ethyl N-[9-[(3,5-dichloro-4-pyridinyl)carbamoyl]-6-methoxydibenzofuran-2-yl]methanimidate
CID 58867875
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
CID 172996861
sodium 8-acetamido-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)dibenzofuran-1-carboxamide
CID 11364118
N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-8-(4-methylpiperazin-1-yl)sulfonyldibenzofuran-1-carboxamide
CID 11678716
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
N-(3,5-dichloro-4-pyridinyl)-4-(2-methylpropoxy)dibenzofuran-1-carboxamide
CID 69282533
N-(3-chloro-5-methyl-4-pyridinyl)-4-(difluoromethoxy)-8-methyldibenzofuran-1-carboxamide
CID 143227101
7-amino-N-(3,5-dichloro-4-pyridinyl)-1-methoxydibenzofuran-4-carboxamide
CID 141311762
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-phenyl-1-benzofuran-4-carboxamide
CID 22733967

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide (CID 11202725) is N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide is CCS(=O)(=O)Nc1ccc2oc3c(OC)ccc(C(=O)Nc4c(Cl)cncc4Cl)c3c2c1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide?
The InChIKey is NZYBGVUXFLCHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O5S/c1-3-32(28,29)26-11-4-6-16-13(8-11)18-12(5-7-17(30-2)20(18)31-16)21(27)25-19-14(22)9-24-10-15(19)23/h4-10,26H,3H2,1-2H3,(H,24,25,27).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide has a molecular weight of 494.36 g/mol, XLogP of 5.31, 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)-8-(ethylsulfonylamino)-4-methoxydibenzofuran-1-carboxamide is sourced from PubChem (CID 11202725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).