2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide

C15H12Cl2N2O4S — CID 26714377

IUPAC2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O4S/c1-24(22,23)11-5-2-9(3-6-11)14(20)18-19-15(21)12-7-4-10(16)8-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyGZYWRTHORVLBBZ-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.47
Rot. Bonds3

About 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide

2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide (PubChem CID 26714377) has the molecular formula C15H12Cl2N2O4S and a molecular weight of 387.24 g/mol. Its IUPAC name is 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide
PubChem CID26714377
Molecular FormulaC15H12Cl2N2O4S
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H12Cl2N2O4S/c1-24(22,23)11-5-2-9(3-6-11)14(20)18-19-15(21)12-7-4-10(16)8-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyGZYWRTHORVLBBZ-UHFFFAOYSA-N
XLogP2.47
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide (CID 26714377) is 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide is CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide?
The InChIKey is GZYWRTHORVLBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S/c1-24(22,23)11-5-2-9(3-6-11)14(20)18-19-15(21)12-7-4-10(16)8-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide?
2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide has a molecular weight of 387.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-(4-methylsulfonylbenzoyl)benzohydrazide is sourced from PubChem (CID 26714377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).