N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide

C11H14N2O4S — CID 6737275

IUPACN'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide
SMILESCS(=O)(=O)NNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O4S/c1-18(16,17)13-12-11(15)8-7-10(14)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3,(H,12,15)
InChIKeyRCWOSALNHMKPBX-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.23
Rot. Bonds6

About N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide

N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide (PubChem CID 6737275) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide
PubChem CID6737275
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide
SMILESCS(=O)(=O)NNC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C11H14N2O4S/c1-18(16,17)13-12-11(15)8-7-10(14)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3,(H,12,15)
InChIKeyRCWOSALNHMKPBX-UHFFFAOYSA-N
XLogP0.23
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.23
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 N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide?
The IUPAC name of N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide (CID 6737275) is N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide.
What is the SMILES notation for N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide?
The canonical SMILES for N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide is CS(=O)(=O)NNC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide?
The InChIKey is RCWOSALNHMKPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-18(16,17)13-12-11(15)8-7-10(14)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3,(H,12,15).
What are the key properties of N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide?
N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide has a molecular weight of 270.31 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylsulfonyl-4-oxo-4-phenylbutanehydrazide is sourced from PubChem (CID 6737275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).