3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide

C17H17FN2O4S2 — CID 4787684

IUPAC3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C17H17FN2O4S2/c18-14-8-4-5-9-15(14)25-12-17(22)20-19-16(21)10-11-26(23,24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyDMMLREMTTSJKHU-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.93
Rot. Bonds7

About 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide

3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide (PubChem CID 4787684) has the molecular formula C17H17FN2O4S2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
PubChem CID4787684
Molecular FormulaC17H17FN2O4S2
Molecular Weight396.47 g/mol
Exact Mass396.06
IUPAC Name3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NNC(=O)CSc1ccccc1F
InChIInChI=1S/C17H17FN2O4S2/c18-14-8-4-5-9-15(14)25-12-17(22)20-19-16(21)10-11-26(23,24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22)
InChIKeyDMMLREMTTSJKHU-UHFFFAOYSA-N
XLogP1.93
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.93
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-[(2-Fluorophenyl)sulfanyl]acetohydrazide
CID 4388854
3-(benzenesulfonyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 4790822
N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(4-methylphenyl)sulfonylpropanehydrazide
CID 4790824
2-(4-methylbenzene-1-sulfonyl)-N'-(4-fluorobenzene-1-sulfonyl)acetohydrazide
CID 146673635
2-(4-fluorobenzene-1-sulfonyl)-N'-(4-methylbenzene-1-sulfonyl)acetohydrazide
CID 146673636
2-(4-chlorobenzene-1-sulfonyl)-N'-(4-fluorobenzene-1-sulfonyl)acetohydrazide
CID 146673639
2-(4-fluorobenzene-1-sulfonyl)-N'-(4-chlorobenzene-1-sulfonyl)acetohydrazide
CID 146673640
2-(4-fluorobenzene-1-sulfonyl)-N'-(4-fluorobenzene-1-sulfonyl)acetohydrazide
CID 146673643
2-{[2-(Phenylsulfonyl)ethyl]thio}ethanohydrazide
CID 2819939
Benzenesulfonyl-acetic acid hydrazide
CID 11378890
2-(2-fluorophenyl)sulfanyl-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8481812
3-(4-fluorophenyl)sulfanyl-N'-(3-fluorophenyl)sulfonylpropanehydrazide
CID 8482228

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
The IUPAC name of 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide (CID 4787684) is 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide.
What is the SMILES notation for 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
The canonical SMILES for 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide is O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)CSc1ccccc1F.
What is the InChIKey of 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
The InChIKey is DMMLREMTTSJKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S2/c18-14-8-4-5-9-15(14)25-12-17(22)20-19-16(21)10-11-26(23,24)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,19,21)(H,20,22).
What are the key properties of 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide?
3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide has a molecular weight of 396.47 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide is sourced from PubChem (CID 4787684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).