2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide

C10H14N2O3S2 — CID 2819939

IUPAC2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O3S2/c11-12-10(13)8-16-6-7-17(14,15)9-4-2-1-3-5-9/h1-5H,6-8,11H2,(H,12,13)
InChIKeyDRFCBSYNHYWPME-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.18
Rot. Bonds6

About 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide

2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide (PubChem CID 2819939) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide
PubChem CID2819939
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide
SMILESNNC(=O)CSCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H14N2O3S2/c11-12-10(13)8-16-6-7-17(14,15)9-4-2-1-3-5-9/h1-5H,6-8,11H2,(H,12,13)
InChIKeyDRFCBSYNHYWPME-UHFFFAOYSA-N
XLogP0.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-Fluorophenyl)sulfanyl]acetohydrazide
CID 4388854
3-(benzenesulfonyl)-N'-[2-(2-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 4787684
3-(Phenylsulfanyl)propanehydrazide
CID 222880
2-(4-Chlorobenzene-1-sulfonyl)acetohydrazide
CID 2819384
2-(Phenylsulfinyl)acetamide
CID 12335699
N'-(benzenesulfonyl)acetohydrazide
CID 291557
3-(Benzenesulfonyl)propanamide
CID 853565
1-[[2-[2-(Benzenesulfonyl)ethylsulfanyl]acetyl]amino]-3-methylthiourea
CID 2821871
2-(Benzenesulfonyl)acetamide
CID 1810305
2-(Phenylthio)acetic acid hydrazide
CID 7037418
2-(4-fluorobenzene-1-sulfonyl)-N'-(4-fluorobenzene-1-sulfonyl)acetohydrazide
CID 146673643
2-Benzylsulfonylacetohydrazide
CID 11817035

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide?
The IUPAC name of 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide (CID 2819939) is 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide.
What is the SMILES notation for 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide?
The canonical SMILES for 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide is NNC(=O)CSCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide?
The InChIKey is DRFCBSYNHYWPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c11-12-10(13)8-16-6-7-17(14,15)9-4-2-1-3-5-9/h1-5H,6-8,11H2,(H,12,13).
What are the key properties of 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide?
2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide has a molecular weight of 274.37 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)ethylsulfanyl]acetohydrazide is sourced from PubChem (CID 2819939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).