(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate

C17H13N4O3S2- — CID 6783266

IUPAC(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
SMILESO=S(=O)(Nc1ccccc1C([O-])=N/N=C\c1ccncc1)c1cccs1
InChIInChI=1S/C17H14N4O3S2/c22-17(20-19-12-13-7-9-18-10-8-13)14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-12,21H,(H,20,22)/p-1/b19-12-
InChIKeyGUXQDZBFMYGDHV-UNOMPAQXSA-M
MW385.45 g/mol
LogP2.08
Rot. Bonds6

About (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate

(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate (PubChem CID 6783266) has the molecular formula C17H13N4O3S2- and a molecular weight of 385.45 g/mol. Its IUPAC name is (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate.

Molecular Properties

Compound Name(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
PubChem CID6783266
Molecular FormulaC17H13N4O3S2-
Molecular Weight385.45 g/mol
Exact Mass385.04
IUPAC Name(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
SMILESO=S(=O)(Nc1ccccc1C([O-])=N/N=C\c1ccncc1)c1cccs1
InChIInChI=1S/C17H14N4O3S2/c22-17(20-19-12-13-7-9-18-10-8-13)14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-12,21H,(H,20,22)/p-1/b19-12-
InChIKeyGUXQDZBFMYGDHV-UNOMPAQXSA-M
XLogP2.08
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
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-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2431556
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2380509
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[(4-methylsulfanylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2594546
N-(cinnamylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 4537987
N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2336215
N-[(Z)-(3-methylphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6300716
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6305629
N-[1-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2366530
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 25038247

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The IUPAC name of (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate (CID 6783266) is (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate.
What is the SMILES notation for (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The canonical SMILES for (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate is O=S(=O)(Nc1ccccc1C([O-])=N/N=C\c1ccncc1)c1cccs1.
What is the InChIKey of (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The InChIKey is GUXQDZBFMYGDHV-UNOMPAQXSA-M. The full InChI is InChI=1S/C17H14N4O3S2/c22-17(20-19-12-13-7-9-18-10-8-13)14-4-1-2-5-15(14)21-26(23,24)16-6-3-11-25-16/h1-12,21H,(H,20,22)/p-1/b19-12-.
What are the key properties of (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate has a molecular weight of 385.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate is sourced from PubChem (CID 6783266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).