N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide

C17H13FN2O3S2 — CID 135298604

IUPACN'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C17H13FN2O3S2/c18-15-6-1-2-7-16(15)25(22,23)20-19-17(21)13-5-3-4-12(10-13)14-8-9-24-11-14/h1-11,20H,(H,19,21)
InChIKeyMGBWUABPWICTMN-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.18
Rot. Bonds5

About N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide

N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide (PubChem CID 135298604) has the molecular formula C17H13FN2O3S2 and a molecular weight of 376.43 g/mol. Its IUPAC name is N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
PubChem CID135298604
Molecular FormulaC17H13FN2O3S2
Molecular Weight376.43 g/mol
Exact Mass376.04
IUPAC NameN'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccsc2)c1
InChIInChI=1S/C17H13FN2O3S2/c18-15-6-1-2-7-16(15)25(22,23)20-19-17(21)13-5-3-4-12(10-13)14-8-9-24-11-14/h1-11,20H,(H,19,21)
InChIKeyMGBWUABPWICTMN-UHFFFAOYSA-N
XLogP3.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155532167
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-pyridin-2-ylbenzohydrazide
CID 133080719
3-butoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 135298630
2-fluoro-5-(4-fluorophenyl)-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 155926750
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-pyridin-2-ylbenzohydrazide
CID 135298631
3-fluoro-N'-(2-fluoro-3-hydroxyphenyl)sulfonyl-5-phenylbenzohydrazide
CID 155555713
N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
CID 17394762
N'-(2-fluorophenyl)sulfonyl-3-methoxy-5-propan-2-yloxybenzohydrazide
CID 135298667
2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596889
N'-[2-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26966737
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
3-chloro-N'-(2,5-dichlorophenyl)sulfonylbenzohydrazide
CID 8616581

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide?
The IUPAC name of N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide (CID 135298604) is N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide.
What is the SMILES notation for N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide?
The canonical SMILES for N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide is O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(-c2ccsc2)c1.
What is the InChIKey of N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide?
The InChIKey is MGBWUABPWICTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S2/c18-15-6-1-2-7-16(15)25(22,23)20-19-17(21)13-5-3-4-12(10-13)14-8-9-24-11-14/h1-11,20H,(H,19,21).
What are the key properties of N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide?
N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide has a molecular weight of 376.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)sulfonyl-3-thiophen-3-ylbenzohydrazide is sourced from PubChem (CID 135298604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).