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

C17H16N2O5S — CID 10155424

IUPAC7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
SMILESCOc1cccc2cc(C(=O)NNS(=O)(=O)c3cccc(C)c3)oc12
InChIInChI=1S/C17H16N2O5S/c1-11-5-3-7-13(9-11)25(21,22)19-18-17(20)15-10-12-6-4-8-14(23-2)16(12)24-15/h3-10,19H,1-2H3,(H,18,20)
InChIKeyKDLBMLHKRHYQLV-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.37
Rot. Bonds5

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

7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide (PubChem CID 10155424) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is 7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
PubChem CID10155424
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC Name7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
SMILESCOc1cccc2cc(C(=O)NNS(=O)(=O)c3cccc(C)c3)oc12
InChIInChI=1S/C17H16N2O5S/c1-11-5-3-7-13(9-11)25(21,22)19-18-17(20)15-10-12-6-4-8-14(23-2)16(12)24-15/h3-10,19H,1-2H3,(H,18,20)
InChIKeyKDLBMLHKRHYQLV-UHFFFAOYSA-N
XLogP2.37
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-N'-(3-methoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
CID 59980859
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
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
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079
7-methoxy-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 38011887
7-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46763363
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-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide (CID 10155424) is 7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide is COc1cccc2cc(C(=O)NNS(=O)(=O)c3cccc(C)c3)oc12.
What is the InChIKey of 7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
The InChIKey is KDLBMLHKRHYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-11-5-3-7-13(9-11)25(21,22)19-18-17(20)15-10-12-6-4-8-14(23-2)16(12)24-15/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of 7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide?
7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide has a molecular weight of 360.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N'-(3-methylphenyl)sulfonyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 10155424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).