N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide

C19H17N3O4S — CID 135298581

IUPACN'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ccccn2)c1
InChIInChI=1S/C19H17N3O4S/c1-26-16-12-14(18-9-5-6-10-20-18)11-15(13-16)19(23)21-22-27(24,25)17-7-3-2-4-8-17/h2-13,22H,1H3,(H,21,23)
InChIKeyTUQGWWDPKKICQY-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.38
Rot. Bonds6

About N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide

N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide (PubChem CID 135298581) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide
PubChem CID135298581
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide
SMILESCOc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ccccn2)c1
InChIInChI=1S/C19H17N3O4S/c1-26-16-12-14(18-9-5-6-10-20-18)11-15(13-16)19(23)21-22-27(24,25)17-7-3-2-4-8-17/h2-13,22H,1H3,(H,21,23)
InChIKeyTUQGWWDPKKICQY-UHFFFAOYSA-N
XLogP2.38
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.38
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

Way-151693
CID 4368
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298631
N'-(benzenesulfonyl)-3-methoxy-5-pyrimidin-2-ylbenzohydrazide
CID 135298634
4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 984439
4-{[(4-methoxyphenyl)sulfonyl](methyl)amino}-N-(pyridin-3-yl)benzamide
CID 1242126
4-methoxy-N'-[2-(1H-pyrrol-1-yl)benzoyl]benzenesulfonohydrazide
CID 1481258
4-{[(3-methoxyphenyl)sulfonyl]amino}-N-(4-pyridinyl)benzamide
CID 2241461
3-methoxy-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 6173110
3-methoxy-N-(2-(N-(pyridin-2-ylmethyl)sulfamoyl)ethyl)benzamide
CID 7618083
3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414554
3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-1-pyridin-4-ylethylideneamino]benzamide
CID 9689295
3-[(4-methoxyphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 24979468

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide (CID 135298581) is N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide is COc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ccccn2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide?
The InChIKey is TUQGWWDPKKICQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-26-16-12-14(18-9-5-6-10-20-18)11-15(13-16)19(23)21-22-27(24,25)17-7-3-2-4-8-17/h2-13,22H,1H3,(H,21,23).
What are the key properties of N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide?
N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide has a molecular weight of 383.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-methoxy-5-pyridin-2-ylbenzohydrazide is sourced from PubChem (CID 135298581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).