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

C14H12ClFN2O5S2 — CID 146673640

IUPACN'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2O5S2/c15-10-1-5-13(6-2-10)25(22,23)18-17-14(19)9-24(20,21)12-7-3-11(16)4-8-12/h1-8,18H,9H2,(H,17,19)
InChIKeyAYDKWGADAJYVST-UHFFFAOYSA-N
MW406.84 g/mol
LogP1.26
Rot. Bonds6

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

N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide (PubChem CID 146673640) has the molecular formula C14H12ClFN2O5S2 and a molecular weight of 406.84 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide
PubChem CID146673640
Molecular FormulaC14H12ClFN2O5S2
Molecular Weight406.84 g/mol
Exact Mass405.99
IUPAC NameN'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide
SMILESO=C(CS(=O)(=O)c1ccc(F)cc1)NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFN2O5S2/c15-10-1-5-13(6-2-10)25(22,23)18-17-14(19)9-24(20,21)12-7-3-11(16)4-8-12/h1-8,18H,9H2,(H,17,19)
InChIKeyAYDKWGADAJYVST-UHFFFAOYSA-N
XLogP1.26
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.84
LogP ≤ 51.26
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

3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 4787684
2-(4-Chlorobenzene-1-sulfonyl)acetohydrazide
CID 2819384
2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
CID 2819949
N'-[4-(4-chlorophenyl)sulfonyl-3-methylthiophen-2-yl]sulfonylacetohydrazide
CID 2820374
2-(4-chlorobenzene-1-sulfonyl)-N'-(4-fluorobenzene-1-sulfonyl)acetohydrazide
CID 146673639
2-(4-fluorobenzene-1-sulfonyl)-N'-(4-fluorobenzene-1-sulfonyl)acetohydrazide
CID 146673643
N'-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)sulfanylacetohydrazide
CID 8481798
2-(2-fluorophenyl)sulfanyl-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8481812
3-(4-fluorophenyl)sulfanyl-N'-(3-fluorophenyl)sulfonylpropanehydrazide
CID 8482228
N-(4-chloro-2-fluorophenyl)sulfonyl-3-cyclopentylsulfonylpropanamide
CID 48488123
N'-(4-chlorophenyl)sulfonylacetohydrazide
CID 456823
4-Chlorophenylsulfonylethenesulfonylacetic acid hydrazide
CID 138377017

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide (CID 146673640) is N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide is O=C(CS(=O)(=O)c1ccc(F)cc1)NNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide?
The InChIKey is AYDKWGADAJYVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O5S2/c15-10-1-5-13(6-2-10)25(22,23)18-17-14(19)9-24(20,21)12-7-3-11(16)4-8-12/h1-8,18H,9H2,(H,17,19).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide?
N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide has a molecular weight of 406.84 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)sulfonylacetohydrazide is sourced from PubChem (CID 146673640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).