N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide

C24H23ClFN3O3S — CID 134581329

IUPACN'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1F
InChIInChI=1S/C24H23ClFN3O3S/c1-16-11-19(18-5-3-2-4-6-18)12-22(23(16)26)24(30)27-28-33(31,32)21-14-29(15-21)13-17-7-9-20(25)10-8-17/h2-12,21,28H,13-15H2,1H3,(H,27,30)
InChIKeyGCVKSIOETYXLNO-UHFFFAOYSA-N
MW487.98 g/mol
LogP3.90
Rot. Bonds7

About N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide

N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide (PubChem CID 134581329) has the molecular formula C24H23ClFN3O3S and a molecular weight of 487.98 g/mol. Its IUPAC name is N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
PubChem CID134581329
Molecular FormulaC24H23ClFN3O3S
Molecular Weight487.98 g/mol
Exact Mass487.11
IUPAC NameN'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1F
InChIInChI=1S/C24H23ClFN3O3S/c1-16-11-19(18-5-3-2-4-6-18)12-22(23(16)26)24(30)27-28-33(31,32)21-14-29(15-21)13-17-7-9-20(25)10-8-17/h2-12,21,28H,13-15H2,1H3,(H,27,30)
InChIKeyGCVKSIOETYXLNO-UHFFFAOYSA-N
XLogP3.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.98
LogP ≤ 53.90
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

2-fluoro-3-methyl-5-phenyl-N'-[1-(2-phenylethyl)azetidin-3-yl]sulfonylbenzohydrazide
CID 134581287
2-fluoro-N'-[1-(2-hydroxyethyl)azetidin-3-yl]sulfanyl-3-methyl-5-phenylbenzohydrazide
CID 142366380
N'-[(2-chlorophenyl)methylsulfonyl]-2-fluoro-3-methyl-5-phenylbenzohydrazide
CID 134581313
2-fluoro-N'-[[1-(2-hydroxyethyl)piperidin-4-yl]methylsulfonyl]-3-methyl-5-phenylbenzohydrazide
CID 134581031
5-chloro-N'-cyclohexylsulfonyl-2-fluoro-3-methylbenzohydrazide
CID 134581318
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
1-(2-chlorophenyl)-N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]methanesulfonamide
CID 167577283
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 167569996
N-[2-(2-fluoro-3-methyl-5-phenylphenyl)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-sulfonamide
CID 167709108

Frequently Asked Questions

What is the IUPAC name of N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The IUPAC name of N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide (CID 134581329) is N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide.
What is the SMILES notation for N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The canonical SMILES for N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1F.
What is the InChIKey of N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The InChIKey is GCVKSIOETYXLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O3S/c1-16-11-19(18-5-3-2-4-6-18)12-22(23(16)26)24(30)27-28-33(31,32)21-14-29(15-21)13-17-7-9-20(25)10-8-17/h2-12,21,28H,13-15H2,1H3,(H,27,30).
What are the key properties of N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide?
N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide has a molecular weight of 487.98 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]sulfonyl-2-fluoro-3-methyl-5-phenylbenzohydrazide is sourced from PubChem (CID 134581329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).