2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide

C25H26FN3O3S — CID 134581287

IUPAC2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CN(CCc3ccccc3)C2)c1F
InChIInChI=1S/C25H26FN3O3S/c1-18-14-21(20-10-6-3-7-11-20)15-23(24(18)26)25(30)27-28-33(31,32)22-16-29(17-22)13-12-19-8-4-2-5-9-19/h2-11,14-15,22,28H,12-13,16-17H2,1H3,(H,27,30)
InChIKeyMMFBHYPBLXSHES-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.29
Rot. Bonds8

About 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide

2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide (PubChem CID 134581287) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide
PubChem CID134581287
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC Name2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CN(CCc3ccccc3)C2)c1F
InChIInChI=1S/C25H26FN3O3S/c1-18-14-21(20-10-6-3-7-11-20)15-23(24(18)26)25(30)27-28-33(31,32)22-16-29(17-22)13-12-19-8-4-2-5-9-19/h2-11,14-15,22,28H,12-13,16-17H2,1H3,(H,27,30)
InChIKeyMMFBHYPBLXSHES-UHFFFAOYSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581329
2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide
CID 142366380
2-fluoro-N'-[[1-(2-hydroxyethyl)piperidin-4-yl]methylsulfonyl]-3-methyl-5-phenylbenzohydrazide
CID 134581031
1-ethyl-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]piperidine-3-sulfonamide
CID 167709101
2-fluoro-N'-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide
CID 142366434
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 167641470
N'-(cyclohexylmethylsulfonyl)-2-fluoro-5-(3-fluorophenyl)-3-methylbenzohydrazide
CID 134581165
5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
CID 134581318
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide
CID 167709108
1-(1-acetylpiperidin-4-yl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167556990
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 167569996
tert-butyl 4-[2-(2-fluoro-3-methyl-5-phenylbenzoyl)hydrazinyl]sulfanylpiperidine-1-carboxylate
CID 142366186

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide?
The IUPAC name of 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide (CID 134581287) is 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide.
What is the SMILES notation for 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide?
The canonical SMILES for 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CN(CCc3ccccc3)C2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide?
The InChIKey is MMFBHYPBLXSHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c1-18-14-21(20-10-6-3-7-11-20)15-23(24(18)26)25(30)27-28-33(31,32)22-16-29(17-22)13-12-19-8-4-2-5-9-19/h2-11,14-15,22,28H,12-13,16-17H2,1H3,(H,27,30).
What are the key properties of 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide?
2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide has a molecular weight of 467.57 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide is sourced from PubChem (CID 134581287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).