N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate

C21H16N3O4S2- — CID 2366514

IUPACN-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
SMILESC=C(NN=C([O-])c1ccccc1NS(=O)(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C21H17N3O4S2/c1-14(19-13-15-7-2-5-10-18(15)28-19)22-23-21(25)16-8-3-4-9-17(16)24-30(26,27)20-11-6-12-29-20/h2-13,22,24H,1H2,(H,23,25)/p-1
InChIKeyOHJOXTZPFTUMCR-UHFFFAOYSA-M
MW438.51 g/mol
LogP3.58
Rot. Bonds7

About N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate

N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate (PubChem CID 2366514) has the molecular formula C21H16N3O4S2- and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
PubChem CID2366514
Molecular FormulaC21H16N3O4S2-
Molecular Weight438.51 g/mol
Exact Mass438.06
IUPAC NameN-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
SMILESC=C(NN=C([O-])c1ccccc1NS(=O)(=O)c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C21H17N3O4S2/c1-14(19-13-15-7-2-5-10-18(15)28-19)22-23-21(25)16-8-3-4-9-17(16)24-30(26,27)20-11-6-12-29-20/h2-13,22,24H,1H2,(H,23,25)/p-1
InChIKeyOHJOXTZPFTUMCR-UHFFFAOYSA-M
XLogP3.58
TPSA106.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2431556
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4569049
N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2366530
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2380509
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 6783266
N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2336215
1-(1-benzofuran-2-yl)-2-thiophen-2-ylsulfonylethanone
CID 64644105
(2-amino-2-oxoethyl) 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2620159
N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698677
N-phenylmethoxy-3-(thiophen-2-ylsulfonylamino)naphthalene-2-carboxamide
CID 18283850
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate (CID 2366514) is N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate is C=C(NN=C([O-])c1ccccc1NS(=O)(=O)c1cccs1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The InChIKey is OHJOXTZPFTUMCR-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H17N3O4S2/c1-14(19-13-15-7-2-5-10-18(15)28-19)22-23-21(25)16-8-3-4-9-17(16)24-30(26,27)20-11-6-12-29-20/h2-13,22,24H,1H2,(H,23,25)/p-1.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate has a molecular weight of 438.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate is sourced from PubChem (CID 2366514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).