N-(4-methylphenyl)sulfonylacetohydrazide

C9H12N2O3S — CID 57152357

IUPACN-(4-methylphenyl)sulfonylacetohydrazide
SMILESCC(=O)N(N)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O3S/c1-7-3-5-9(6-4-7)15(13,14)11(10)8(2)12/h3-6H,10H2,1-2H3
InChIKeyTVLICSCTJSHPQZ-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.41
Rot. Bonds2

About N-(4-methylphenyl)sulfonylacetohydrazide

N-(4-methylphenyl)sulfonylacetohydrazide (PubChem CID 57152357) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonylacetohydrazide
PubChem CID57152357
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(4-methylphenyl)sulfonylacetohydrazide
SMILESCC(=O)N(N)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C9H12N2O3S/c1-7-3-5-9(6-4-7)15(13,14)11(10)8(2)12/h3-6H,10H2,1-2H3
InChIKeyTVLICSCTJSHPQZ-UHFFFAOYSA-N
XLogP0.41
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.41
H-Bond Donors ≤ 51
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

CID 77703
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CID 15303
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CID 840007
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CID 3139318
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CID 1487856
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CID 795389
CID 795389
CID 100712
CID 100712
CID 74327
CID 74327
CID 82602
CID 82602
CID 1625342
CID 1625342
CID 2420757
CID 2420757
CID 5035758
CID 5035758

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of N-(4-methylphenyl)sulfonylacetohydrazide (CID 57152357) is N-(4-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for N-(4-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for N-(4-methylphenyl)sulfonylacetohydrazide is CC(=O)N(N)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonylacetohydrazide?
The InChIKey is TVLICSCTJSHPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-7-3-5-9(6-4-7)15(13,14)11(10)8(2)12/h3-6H,10H2,1-2H3.
What are the key properties of N-(4-methylphenyl)sulfonylacetohydrazide?
N-(4-methylphenyl)sulfonylacetohydrazide has a molecular weight of 228.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 57152357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).