4-methylsulfonyl-N'-phenylbenzohydrazide

C14H14N2O3S — CID 15453816

IUPAC4-methylsulfonyl-N'-phenylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-20(18,19)13-9-7-11(8-10-13)14(17)16-15-12-5-3-2-4-6-12/h2-10,15H,1H3,(H,16,17)
InChIKeyIXLSNLODGURDCN-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.85
Rot. Bonds4

About 4-methylsulfonyl-N'-phenylbenzohydrazide

4-methylsulfonyl-N'-phenylbenzohydrazide (PubChem CID 15453816) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-methylsulfonyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-methylsulfonyl-N'-phenylbenzohydrazide
PubChem CID15453816
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-methylsulfonyl-N'-phenylbenzohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNc2ccccc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-20(18,19)13-9-7-11(8-10-13)14(17)16-15-12-5-3-2-4-6-12/h2-10,15H,1H3,(H,16,17)
InChIKeyIXLSNLODGURDCN-UHFFFAOYSA-N
XLogP1.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.85
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

4-(anilinocarbamoyl)-N-methyl-N-phenylbenzenesulfonamide
CID 78774991
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
1-(4-methylsulfonylanilino)-3-phenylthiourea
CID 71897108
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
N-[3-methyl-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 55675733
4-methylsulfonylbenzohydrazide
CID 11042107
N'-(4-tert-butylphenyl)benzohydrazide
CID 2813094
4-methylsulfonyl-N'-(1-phenylcyclobutanecarbonyl)benzohydrazide
CID 34969110
N-[4-[4-(anilinocarbamoyl)anilino]phenyl]benzamide
CID 139914016
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
N'-phenyl-4-(trifluoromethoxy)benzohydrazide
CID 78774950

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-N'-phenylbenzohydrazide?
The IUPAC name of 4-methylsulfonyl-N'-phenylbenzohydrazide (CID 15453816) is 4-methylsulfonyl-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-methylsulfonyl-N'-phenylbenzohydrazide?
The canonical SMILES for 4-methylsulfonyl-N'-phenylbenzohydrazide is CS(=O)(=O)c1ccc(C(=O)NNc2ccccc2)cc1.
What is the InChIKey of 4-methylsulfonyl-N'-phenylbenzohydrazide?
The InChIKey is IXLSNLODGURDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-20(18,19)13-9-7-11(8-10-13)14(17)16-15-12-5-3-2-4-6-12/h2-10,15H,1H3,(H,16,17).
What are the key properties of 4-methylsulfonyl-N'-phenylbenzohydrazide?
4-methylsulfonyl-N'-phenylbenzohydrazide has a molecular weight of 290.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 15453816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).