N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate

C18H15N4O3S2- — CID 2431556

IUPACN-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
SMILESC=C(NN=C([O-])c1ccccc1NS(=O)(=O)c1cccs1)c1ccncc1
InChIInChI=1S/C18H16N4O3S2/c1-13(14-8-10-19-11-9-14)20-21-18(23)15-5-2-3-6-16(15)22-27(24,25)17-7-4-12-26-17/h2-12,20,22H,1H2,(H,21,23)/p-1
InChIKeyVTCWOGRBJPSIRD-UHFFFAOYSA-M
MW399.48 g/mol
LogP2.23
Rot. Bonds7

About N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate

N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate (PubChem CID 2431556) has the molecular formula C18H15N4O3S2- and a molecular weight of 399.48 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
PubChem CID2431556
Molecular FormulaC18H15N4O3S2-
Molecular Weight399.48 g/mol
Exact Mass399.06
IUPAC NameN-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
SMILESC=C(NN=C([O-])c1ccccc1NS(=O)(=O)c1cccs1)c1ccncc1
InChIInChI=1S/C18H16N4O3S2/c1-13(14-8-10-19-11-9-14)20-21-18(23)15-5-2-3-6-16(15)22-27(24,25)17-7-4-12-26-17/h2-12,20,22H,1H2,(H,21,23)/p-1
InChIKeyVTCWOGRBJPSIRD-UHFFFAOYSA-M
XLogP2.23
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 52.23
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-(3-acetamidophenyl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2366530
N-[1-(1-benzofuran-2-yl)ethenyl]-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 2366514
(NZ)-N-(pyridin-4-ylmethylidene)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate
CID 6783266
N-[(E)-pyridin-4-ylmethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6908136
N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2380509
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-(2-ethyl-6-methylphenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate
CID 2336215
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 7392702
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2402957
2-benzoyloxyethyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30906041
methyl 2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoate
CID 108783728

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The IUPAC name of N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate (CID 2431556) is N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate.
What is the SMILES notation for N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The canonical SMILES for N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate is C=C(NN=C([O-])c1ccccc1NS(=O)(=O)c1cccs1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
The InChIKey is VTCWOGRBJPSIRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N4O3S2/c1-13(14-8-10-19-11-9-14)20-21-18(23)15-5-2-3-6-16(15)22-27(24,25)17-7-4-12-26-17/h2-12,20,22H,1H2,(H,21,23)/p-1.
What are the key properties of N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate?
N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate has a molecular weight of 399.48 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethenyl)-2-(thiophen-2-ylsulfonylamino)benzenecarbohydrazonate is sourced from PubChem (CID 2431556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).