2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide

C15H15FN2O5S2 — CID 146673636

IUPAC2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O5S2/c1-11-2-6-14(7-3-11)25(22,23)18-17-15(19)10-24(20,21)13-8-4-12(16)5-9-13/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyVITYBMSVZXSLLS-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.92
Rot. Bonds6

About 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide

2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide (PubChem CID 146673636) has the molecular formula C15H15FN2O5S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
PubChem CID146673636
Molecular FormulaC15H15FN2O5S2
Molecular Weight386.43 g/mol
Exact Mass386.04
IUPAC Name2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O5S2/c1-11-2-6-14(7-3-11)25(22,23)18-17-15(19)10-24(20,21)13-8-4-12(16)5-9-13/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyVITYBMSVZXSLLS-UHFFFAOYSA-N
XLogP0.92
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.92
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide (CID 146673636) is 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)CS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide?
The InChIKey is VITYBMSVZXSLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S2/c1-11-2-6-14(7-3-11)25(22,23)18-17-15(19)10-24(20,21)13-8-4-12(16)5-9-13/h2-9,18H,10H2,1H3,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide?
2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide has a molecular weight of 386.43 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 146673636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).