2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide

C14H15ClN2O5S4 — CID 2819949

IUPAC2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
SMILESO=C(CSCCS(=O)(=O)c1ccccc1)NNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O5S4/c15-12-6-7-14(24-12)26(21,22)17-16-13(18)10-23-8-9-25(19,20)11-4-2-1-3-5-11/h1-7,17H,8-10H2,(H,16,18)
InChIKeyYFAGIFBFPSPPDI-UHFFFAOYSA-N
MW455.00 g/mol
LogP1.92
Rot. Bonds9

About 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide

2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide (PubChem CID 2819949) has the molecular formula C14H15ClN2O5S4 and a molecular weight of 455.00 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
PubChem CID2819949
Molecular FormulaC14H15ClN2O5S4
Molecular Weight455.00 g/mol
Exact Mass453.96
IUPAC Name2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide
SMILESO=C(CSCCS(=O)(=O)c1ccccc1)NNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2O5S4/c15-12-6-7-14(24-12)26(21,22)17-16-13(18)10-23-8-9-25(19,20)11-4-2-1-3-5-11/h1-7,17H,8-10H2,(H,16,18)
InChIKeyYFAGIFBFPSPPDI-UHFFFAOYSA-N
XLogP1.92
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chlorobenzene-1-sulfonyl)acetohydrazide
CID 2819384
N-[3-[2-[(5-chlorothiophen-2-yl)methylsulfonyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 10181593
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-chlorobenzene-1-sulfonyl)acetohydrazide
CID 146673640
N'-(4-chlorophenyl)sulfonyl-2-(2-fluorophenyl)sulfanylacetohydrazide
CID 8481798
4-Chlorophenylsulfonylethenesulfonylacetic acid hydrazide
CID 138377017
2-(4-chlorobenzene-1-sulfonyl)-N'-(propane-1-sulfonyl)acetohydrazide
CID 146673602
2-(4-chlorobenzene-1-sulfonyl)-N'-(butane-1-sulfonyl)acetohydrazide
CID 146673616
2-(4-chlorobenzene-1-sulfonyl)-N'-(benzene-1-sulfonyl)acetohydrazide
CID 146673628
2-(4-chlorobenzene-1-sulfonyl)-N'-(4-chlorobenzene-1-sulfonyl)acetohydrazide
CID 146673644
N'-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)sulfanylacetohydrazide
CID 8481835

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide?
The IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide (CID 2819949) is 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide is O=C(CSCCS(=O)(=O)c1ccccc1)NNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide?
The InChIKey is YFAGIFBFPSPPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5S4/c15-12-6-7-14(24-12)26(21,22)17-16-13(18)10-23-8-9-25(19,20)11-4-2-1-3-5-11/h1-7,17H,8-10H2,(H,16,18).
What are the key properties of 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide?
2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide has a molecular weight of 455.00 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethylsulfanyl]-N'-(5-chlorothiophen-2-yl)sulfonylacetohydrazide is sourced from PubChem (CID 2819949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).