N'-acetyl-2-(benzenesulfonyl)acetohydrazide

C10H12N2O4S — CID 11402609

IUPACN'-acetyl-2-(benzenesulfonyl)acetohydrazide
SMILESCC(=O)NNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O4S/c1-8(13)11-12-10(14)7-17(15,16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)(H,12,14)
InChIKeyKQPLDBFXSPRURP-UHFFFAOYSA-N
MW256.28 g/mol
LogP-0.37
Rot. Bonds3

About N'-acetyl-2-(benzenesulfonyl)acetohydrazide

N'-acetyl-2-(benzenesulfonyl)acetohydrazide (PubChem CID 11402609) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is N'-acetyl-2-(benzenesulfonyl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(benzenesulfonyl)acetohydrazide
PubChem CID11402609
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC NameN'-acetyl-2-(benzenesulfonyl)acetohydrazide
SMILESCC(=O)NNC(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12N2O4S/c1-8(13)11-12-10(14)7-17(15,16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)(H,12,14)
InChIKeyKQPLDBFXSPRURP-UHFFFAOYSA-N
XLogP-0.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(Phenylthio)acetic acid hydrazide
CID 7037418
2-(4-fluorobenzene-1-sulfonyl)-N'-(4-fluorobenzene-1-sulfonyl)acetohydrazide
CID 146673643

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(benzenesulfonyl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(benzenesulfonyl)acetohydrazide (CID 11402609) is N'-acetyl-2-(benzenesulfonyl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(benzenesulfonyl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(benzenesulfonyl)acetohydrazide is CC(=O)NNC(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-acetyl-2-(benzenesulfonyl)acetohydrazide?
The InChIKey is KQPLDBFXSPRURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c1-8(13)11-12-10(14)7-17(15,16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N'-acetyl-2-(benzenesulfonyl)acetohydrazide?
N'-acetyl-2-(benzenesulfonyl)acetohydrazide has a molecular weight of 256.28 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(benzenesulfonyl)acetohydrazide is sourced from PubChem (CID 11402609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).