N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide

C19H15FN2O3S — CID 134581360

IUPACN'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23)
InChIKeyMRSZFKKARPPDOC-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.12
Rot. Bonds5

About N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide

N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide (PubChem CID 134581360) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide
PubChem CID134581360
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23)
InChIKeyMRSZFKKARPPDOC-UHFFFAOYSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.12
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)-2-fluoro-5-phenylbenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide (CID 134581360) is N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)ccc1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide?
The InChIKey is MRSZFKKARPPDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide has a molecular weight of 370.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-fluoro-5-phenylbenzohydrazide is sourced from PubChem (CID 134581360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).