2-(benzenesulfonyl)acetohydrazide

C8H10N2O3S — CID 11378890

IUPAC2-(benzenesulfonyl)acetohydrazide
SMILESNNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10N2O3S/c9-10-8(11)6-14(12,13)7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChIKeyOMVWGVKJBKRRTO-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.55
Rot. Bonds3

About 2-(benzenesulfonyl)acetohydrazide

2-(benzenesulfonyl)acetohydrazide (PubChem CID 11378890) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(benzenesulfonyl)acetohydrazide.

Molecular Properties

Compound Name2-(benzenesulfonyl)acetohydrazide
PubChem CID11378890
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(benzenesulfonyl)acetohydrazide
SMILESNNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H10N2O3S/c9-10-8(11)6-14(12,13)7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChIKeyOMVWGVKJBKRRTO-UHFFFAOYSA-N
XLogP-0.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(2-Fluorophenyl)sulfanyl]acetohydrazide
CID 4388854
2-methyl-N'-(phenylsulfonyl)propanohydrazide
CID 3537922
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-(3-Fluorophenyl)sulfinylacetamide
CID 80032422
2-(Phenylthio)acetic acid hydrazide
CID 7037418

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)acetohydrazide?
The IUPAC name of 2-(benzenesulfonyl)acetohydrazide (CID 11378890) is 2-(benzenesulfonyl)acetohydrazide.
What is the SMILES notation for 2-(benzenesulfonyl)acetohydrazide?
The canonical SMILES for 2-(benzenesulfonyl)acetohydrazide is NNC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)acetohydrazide?
The InChIKey is OMVWGVKJBKRRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-10-8(11)6-14(12,13)7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11).
What are the key properties of 2-(benzenesulfonyl)acetohydrazide?
2-(benzenesulfonyl)acetohydrazide has a molecular weight of 214.25 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)acetohydrazide is sourced from PubChem (CID 11378890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).