7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide

C17H16N2O6S — CID 59980859

IUPAC7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
SMILESCOc1cccc(S(=O)(=O)NNC(=O)c2cc3cccc(OC)c3o2)c1
InChIInChI=1S/C17H16N2O6S/c1-23-12-6-4-7-13(10-12)26(21,22)19-18-17(20)15-9-11-5-3-8-14(24-2)16(11)25-15/h3-10,19H,1-2H3,(H,18,20)
InChIKeyVWPCPBASBORTOK-UHFFFAOYSA-N
MW376.39 g/mol
LogP2.07
Rot. Bonds6

About 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide

7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide (PubChem CID 59980859) has the molecular formula C17H16N2O6S and a molecular weight of 376.39 g/mol. Its IUPAC name is 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
PubChem CID59980859
Molecular FormulaC17H16N2O6S
Molecular Weight376.39 g/mol
Exact Mass376.07
IUPAC Name7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
SMILESCOc1cccc(S(=O)(=O)NNC(=O)c2cc3cccc(OC)c3o2)c1
InChIInChI=1S/C17H16N2O6S/c1-23-12-6-4-7-13(10-12)26(21,22)19-18-17(20)15-9-11-5-3-8-14(24-2)16(11)25-15/h3-10,19H,1-2H3,(H,18,20)
InChIKeyVWPCPBASBORTOK-UHFFFAOYSA-N
XLogP2.07
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
CID 10155424
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one
CID 22425061
7-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 133165504
7-methoxy-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 121083749
7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46763363
7-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888287
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 38011887
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide (CID 59980859) is 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide is COc1cccc(S(=O)(=O)NNC(=O)c2cc3cccc(OC)c3o2)c1.
What is the InChIKey of 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The InChIKey is VWPCPBASBORTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O6S/c1-23-12-6-4-7-13(10-12)26(21,22)19-18-17(20)15-9-11-5-3-8-14(24-2)16(11)25-15/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide has a molecular weight of 376.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 59980859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).