N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide

C23H18F2N2O5S — CID 121283637

IUPACN-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cc(NS(C)(=O)=O)cc2cc(C(=O)Nc3cccc(-c4ccc(F)cc4F)c3)oc12
InChIInChI=1S/C23H18F2N2O5S/c1-31-20-12-17(27-33(2,29)30)9-14-10-21(32-22(14)20)23(28)26-16-5-3-4-13(8-16)18-7-6-15(24)11-19(18)25/h3-12,27H,1-2H3,(H,26,28)
InChIKeyZWUKPUPKBZYQKC-UHFFFAOYSA-N
MW472.47 g/mol
LogP5.01
Rot. Bonds6

About N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide

N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 121283637) has the molecular formula C23H18F2N2O5S and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID121283637
Molecular FormulaC23H18F2N2O5S
Molecular Weight472.47 g/mol
Exact Mass472.09
IUPAC NameN-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cc(NS(C)(=O)=O)cc2cc(C(=O)Nc3cccc(-c4ccc(F)cc4F)c3)oc12
InChIInChI=1S/C23H18F2N2O5S/c1-31-20-12-17(27-33(2,29)30)9-14-10-21(32-22(14)20)23(28)26-16-5-3-4-13(8-16)18-7-6-15(24)11-19(18)25/h3-12,27H,1-2H3,(H,26,28)
InChIKeyZWUKPUPKBZYQKC-UHFFFAOYSA-N
XLogP5.01
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.47
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,4-difluorophenyl)phenyl]-6-(methanesulfonamido)-3-methyl-1-benzothiophene-2-carboxamide
CID 121283508
7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 28590113
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 121031173
7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46763363
7-methoxy-N-[4-(phenylsulfanylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643170
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 4900524
2-chloro-4-fluoro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37259546
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 78867827
5-fluoro-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 78843203

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide (CID 121283637) is N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide is COc1cc(NS(C)(=O)=O)cc2cc(C(=O)Nc3cccc(-c4ccc(F)cc4F)c3)oc12.
What is the InChIKey of N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ZWUKPUPKBZYQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O5S/c1-31-20-12-17(27-33(2,29)30)9-14-10-21(32-22(14)20)23(28)26-16-5-3-4-13(8-16)18-7-6-15(24)11-19(18)25/h3-12,27H,1-2H3,(H,26,28).
What are the key properties of N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide?
N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenyl)phenyl]-5-(methanesulfonamido)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 121283637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).