N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide

C19H15FN2O3S — CID 135298619

IUPACN'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H15FN2O3S/c20-17-11-9-14(10-12-17)15-5-4-6-16(13-15)19(23)21-22-26(24,25)18-7-2-1-3-8-18/h1-13,22H,(H,21,23)
InChIKeyVTXTYDRUQLXWBL-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.12
Rot. Bonds5

About N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide

N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide (PubChem CID 135298619) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide
PubChem CID135298619
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC NameN'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H15FN2O3S/c20-17-11-9-14(10-12-17)15-5-4-6-16(13-15)19(23)21-22-26(24,25)18-7-2-1-3-8-18/h1-13,22H,(H,21,23)
InChIKeyVTXTYDRUQLXWBL-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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Related Compounds

4-(Hydrazinecarbonyl)benzenesulfonamide
CID 318174
2-fluoro-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 877350
2-(Hydrazinecarbonyl)benzenesulfonamide
CID 2490720
N'-(2-fluorobenzenesulfonyl)benzohydrazide
CID 16385222
2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 124132190
(1,1'-Biphenyl)-3-carboxylic acid, 4-fluoro-5-methyl-, 2-(phenylsulfonyl)hydrazide
CID 133053564
N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide
CID 134581289
N'-(4-Fluorobiphenyl-3-carbonyl)benzenesulfonohydrazide
CID 134581360
2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
CID 135298550
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
CID 135298708
3-Fluorobenzoic acid 2-(phenylsulfonyl)hydrazide
CID 809461
2-(N-(4-fluorophenyl)sulfonylaminocarbonyl-hydrazinocarbonyl)-benzenesulfonamide
CID 11304583

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide (CID 135298619) is N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide?
The InChIKey is VTXTYDRUQLXWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c20-17-11-9-14(10-12-17)15-5-4-6-16(13-15)19(23)21-22-26(24,25)18-7-2-1-3-8-18/h1-13,22H,(H,21,23).
What are the key properties of N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide?
N'-(benzenesulfonyl)-3-(4-fluorophenyl)benzohydrazide 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)-3-(4-fluorophenyl)benzohydrazide is sourced from PubChem (CID 135298619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).