4-ethylsulfonyl-N-methylbenzohydrazide

C10H14N2O3S — CID 116845651

IUPAC4-ethylsulfonyl-N-methylbenzohydrazide
SMILESCCS(=O)(=O)c1ccc(C(=O)N(C)N)cc1
InChIInChI=1S/C10H14N2O3S/c1-3-16(14,15)9-6-4-8(5-7-9)10(13)12(2)11/h4-7H,3,11H2,1-2H3
InChIKeyHPUQJVMAWRLLKA-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.43
Rot. Bonds3

About 4-ethylsulfonyl-N-methylbenzohydrazide

4-ethylsulfonyl-N-methylbenzohydrazide (PubChem CID 116845651) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-methylbenzohydrazide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-methylbenzohydrazide
PubChem CID116845651
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-ethylsulfonyl-N-methylbenzohydrazide
SMILESCCS(=O)(=O)c1ccc(C(=O)N(C)N)cc1
InChIInChI=1S/C10H14N2O3S/c1-3-16(14,15)9-6-4-8(5-7-9)10(13)12(2)11/h4-7H,3,11H2,1-2H3
InChIKeyHPUQJVMAWRLLKA-UHFFFAOYSA-N
XLogP0.43
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-methylbenzohydrazide?
The IUPAC name of 4-ethylsulfonyl-N-methylbenzohydrazide (CID 116845651) is 4-ethylsulfonyl-N-methylbenzohydrazide.
What is the SMILES notation for 4-ethylsulfonyl-N-methylbenzohydrazide?
The canonical SMILES for 4-ethylsulfonyl-N-methylbenzohydrazide is CCS(=O)(=O)c1ccc(C(=O)N(C)N)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-methylbenzohydrazide?
The InChIKey is HPUQJVMAWRLLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-16(14,15)9-6-4-8(5-7-9)10(13)12(2)11/h4-7H,3,11H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-methylbenzohydrazide?
4-ethylsulfonyl-N-methylbenzohydrazide has a molecular weight of 242.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-methylbenzohydrazide is sourced from PubChem (CID 116845651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).