2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide

C10H11ClN2O5S2 — CID 138377017

IUPAC2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)C=CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O5S2/c11-8-1-3-9(4-2-8)20(17,18)6-5-19(15,16)7-10(14)13-12/h1-6H,7,12H2,(H,13,14)
InChIKeyCPKNTPWAULJVAE-UHFFFAOYSA-N
MW338.79 g/mol
LogP-0.01
Rot. Bonds5

About 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide

2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide (PubChem CID 138377017) has the molecular formula C10H11ClN2O5S2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide
PubChem CID138377017
Molecular FormulaC10H11ClN2O5S2
Molecular Weight338.79 g/mol
Exact Mass337.98
IUPAC Name2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide
SMILESNNC(=O)CS(=O)(=O)C=CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2O5S2/c11-8-1-3-9(4-2-8)20(17,18)6-5-19(15,16)7-10(14)13-12/h1-6H,7,12H2,(H,13,14)
InChIKeyCPKNTPWAULJVAE-UHFFFAOYSA-N
XLogP-0.01
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Propanamide, 3-[(4-chlorophenyl)sulfonyl]-
CID 541881
2-[(4-Chlorophenyl)sulfanyl]acetohydrazide
CID 734893
2-[(4-Chlorophenyl)sulfonyl]acetamide
CID 773998
2-[(4-chlorobenzene)sulfonyl]-N-hydroxyacetamide
CID 2819553
5-[(4-Chlorophenyl)sulfonylmethyl]-1,2-dihydropyrazol-3-one
CID 46215255
2-(4-Chlorobenzene-1-sulfonyl)acetohydrazide
CID 2819384
2-(2-Chlorophenylthio)acetohydrazide
CID 43091098
5-[(4-Chlorophenyl)sulfinylmethyl]-1,2-dihydropyrazol-3-one
CID 46215250
4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 2363818
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide (CID 138377017) is 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide is NNC(=O)CS(=O)(=O)C=CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide?
The InChIKey is CPKNTPWAULJVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5S2/c11-8-1-3-9(4-2-8)20(17,18)6-5-19(15,16)7-10(14)13-12/h1-6H,7,12H2,(H,13,14).
What are the key properties of 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide?
2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide has a molecular weight of 338.79 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonylethenylsulfonyl]acetohydrazide is sourced from PubChem (CID 138377017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).