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

C15H15FN2O5S2 — CID 146673635

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

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

N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide (PubChem CID 146673635) has the molecular formula C15H15FN2O5S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide
PubChem CID146673635
Molecular FormulaC15H15FN2O5S2
Molecular Weight386.43 g/mol
Exact Mass386.04
IUPAC NameN'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide
SMILESCc1ccc(S(=O)(=O)CC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FN2O5S2/c1-11-2-6-13(7-3-11)24(20,21)10-15(19)17-18-25(22,23)14-8-4-12(16)5-9-14/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyVDJSHSBVLINEBM-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 N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide (CID 146673635) is N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide is Cc1ccc(S(=O)(=O)CC(=O)NNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide?
The InChIKey is VDJSHSBVLINEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O5S2/c1-11-2-6-13(7-3-11)24(20,21)10-15(19)17-18-25(22,23)14-8-4-12(16)5-9-14/h2-9,18H,10H2,1H3,(H,17,19).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide?
N'-(4-fluorophenyl)sulfonyl-2-(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 N'-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 146673635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).