N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide

C17H14N4O3S — CID 135298532

IUPACN'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C17H14N4O3S/c22-17(20-21-25(23,24)15-8-2-1-3-9-15)14-7-4-6-13(12-14)16-18-10-5-11-19-16/h1-12,21H,(H,20,22)
InChIKeyIITFYBBDFUPGPH-UHFFFAOYSA-N
MW354.39 g/mol
LogP1.77
Rot. Bonds5

About N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide

N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide (PubChem CID 135298532) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide
PubChem CID135298532
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC NameN'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ncccn2)c1
InChIInChI=1S/C17H14N4O3S/c22-17(20-21-25(23,24)15-8-2-1-3-9-15)14-7-4-6-13(12-14)16-18-10-5-11-19-16/h1-12,21H,(H,20,22)
InChIKeyIITFYBBDFUPGPH-UHFFFAOYSA-N
XLogP1.77
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.77
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

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
CID 135298767
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 130431495
N-[4-(Pyrimidin-2-ylsulfamoyl)-phenyl]-benzamide
CID 1084460
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
N'-(benzenesulfonyl)-2-fluoro-5-pyrimidin-2-ylbenzohydrazide
CID 135298582
N'-(benzenesulfonyl)-3-methyl-5-pyrimidin-2-ylbenzohydrazide
CID 135298593
N'-(2-fluorophenyl)sulfonyl-3-methyl-5-pyrimidin-2-ylbenzohydrazide
CID 135298633
N'-(2-fluorophenyl)sulfonyl-3-pyrimidin-2-ylbenzohydrazide
CID 135298635
N'-(benzenesulfonyl)-3-fluoro-5-pyrimidin-2-ylbenzohydrazide
CID 135298765
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyrimidin-2-ylbenzohydrazide
CID 135298766
N-[[4-[[(3-methylphenyl)sulfonylamino]methyl]phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 145965853
N-[[4-[[(3-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 145967990

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide (CID 135298532) is N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ncccn2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide?
The InChIKey is IITFYBBDFUPGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c22-17(20-21-25(23,24)15-8-2-1-3-9-15)14-7-4-6-13(12-14)16-18-10-5-11-19-16/h1-12,21H,(H,20,22).
What are the key properties of N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide?
N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide has a molecular weight of 354.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-pyrimidin-2-ylbenzohydrazide is sourced from PubChem (CID 135298532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).