N'-(benzenesulfonyl)-3-phenylbenzohydrazide

C19H16N2O3S — CID 134581289

IUPACN'-(benzenesulfonyl)-3-phenylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H16N2O3S/c22-19(20-21-25(23,24)18-12-5-2-6-13-18)17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1-14,21H,(H,20,22)
InChIKeyHWMDJNJNDQETFD-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.98
Rot. Bonds5

About N'-(benzenesulfonyl)-3-phenylbenzohydrazide

N'-(benzenesulfonyl)-3-phenylbenzohydrazide (PubChem CID 134581289) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-phenylbenzohydrazide
PubChem CID134581289
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN'-(benzenesulfonyl)-3-phenylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C19H16N2O3S/c22-19(20-21-25(23,24)18-12-5-2-6-13-18)17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1-14,21H,(H,20,22)
InChIKeyHWMDJNJNDQETFD-UHFFFAOYSA-N
XLogP2.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-phenylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-phenylbenzohydrazide (CID 134581289) is N'-(benzenesulfonyl)-3-phenylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-phenylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-phenylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-phenylbenzohydrazide?
The InChIKey is HWMDJNJNDQETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-19(20-21-25(23,24)18-12-5-2-6-13-18)17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1-14,21H,(H,20,22).
What are the key properties of N'-(benzenesulfonyl)-3-phenylbenzohydrazide?
N'-(benzenesulfonyl)-3-phenylbenzohydrazide has a molecular weight of 352.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-phenylbenzohydrazide is sourced from PubChem (CID 134581289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).