N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide

C17H17N3O4S — CID 59980820

IUPACN'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide
SMILESCN(C)c1ccc2oc(C(=O)NNS(=O)(=O)c3ccccc3)cc2c1
InChIInChI=1S/C17H17N3O4S/c1-20(2)13-8-9-15-12(10-13)11-16(24-15)17(21)18-19-25(22,23)14-6-4-3-5-7-14/h3-11,19H,1-2H3,(H,18,21)
InChIKeyNJCRBQUXVHXXAF-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.12
Rot. Bonds5

About N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide

N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide (PubChem CID 59980820) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide
PubChem CID59980820
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide
SMILESCN(C)c1ccc2oc(C(=O)NNS(=O)(=O)c3ccccc3)cc2c1
InChIInChI=1S/C17H17N3O4S/c1-20(2)13-8-9-15-12(10-13)11-16(24-15)17(21)18-19-25(22,23)14-6-4-3-5-7-14/h3-11,19H,1-2H3,(H,18,21)
InChIKeyNJCRBQUXVHXXAF-UHFFFAOYSA-N
XLogP2.12
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide (CID 59980820) is N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide is CN(C)c1ccc2oc(C(=O)NNS(=O)(=O)c3ccccc3)cc2c1.
What is the InChIKey of N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide?
The InChIKey is NJCRBQUXVHXXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-20(2)13-8-9-15-12(10-13)11-16(24-15)17(21)18-19-25(22,23)14-6-4-3-5-7-14/h3-11,19H,1-2H3,(H,18,21).
What are the key properties of N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide?
N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide has a molecular weight of 359.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-5-(dimethylamino)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 59980820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).