4-chloro-N'-methylsulfonylbenzohydrazide

C8H9ClN2O3S — CID 1282498

IUPAC4-chloro-N'-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O3S/c1-15(13,14)11-10-8(12)6-2-4-7(9)5-3-6/h2-5,11H,1H3,(H,10,12)
InChIKeyHVMJLUZOXAVPSJ-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.53
Rot. Bonds3

About 4-chloro-N'-methylsulfonylbenzohydrazide

4-chloro-N'-methylsulfonylbenzohydrazide (PubChem CID 1282498) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 4-chloro-N'-methylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-methylsulfonylbenzohydrazide
PubChem CID1282498
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name4-chloro-N'-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H9ClN2O3S/c1-15(13,14)11-10-8(12)6-2-4-7(9)5-3-6/h2-5,11H,1H3,(H,10,12)
InChIKeyHVMJLUZOXAVPSJ-UHFFFAOYSA-N
XLogP0.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-methylsulfonylbenzohydrazide?
The IUPAC name of 4-chloro-N'-methylsulfonylbenzohydrazide (CID 1282498) is 4-chloro-N'-methylsulfonylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-methylsulfonylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-methylsulfonylbenzohydrazide is CS(=O)(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-methylsulfonylbenzohydrazide?
The InChIKey is HVMJLUZOXAVPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-15(13,14)11-10-8(12)6-2-4-7(9)5-3-6/h2-5,11H,1H3,(H,10,12).
What are the key properties of 4-chloro-N'-methylsulfonylbenzohydrazide?
4-chloro-N'-methylsulfonylbenzohydrazide has a molecular weight of 248.69 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-methylsulfonylbenzohydrazide is sourced from PubChem (CID 1282498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).