N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide

C17H18FN3O3S — CID 134564615

IUPACN'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CNC2)c1F
InChIInChI=1S/C17H18FN3O3S/c1-11-7-13(12-5-3-2-4-6-12)8-15(16(11)18)17(22)20-21-25(23,24)14-9-19-10-14/h2-8,14,19,21H,9-10H2,1H3,(H,20,22)
InChIKeyLQGHVALHQSDOLF-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.34
Rot. Bonds5

About N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide

N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide (PubChem CID 134564615) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide
PubChem CID134564615
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CNC2)c1F
InChIInChI=1S/C17H18FN3O3S/c1-11-7-13(12-5-3-2-4-6-12)8-15(16(11)18)17(22)20-21-25(23,24)14-9-19-10-14/h2-8,14,19,21H,9-10H2,1H3,(H,20,22)
InChIKeyLQGHVALHQSDOLF-UHFFFAOYSA-N
XLogP1.34
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.34
H-Bond Donors ≤ 53
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'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The IUPAC name of N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide (CID 134564615) is N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide.
What is the SMILES notation for N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The canonical SMILES for N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)C2CNC2)c1F.
What is the InChIKey of N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide?
The InChIKey is LQGHVALHQSDOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-11-7-13(12-5-3-2-4-6-12)8-15(16(11)18)17(22)20-21-25(23,24)14-9-19-10-14/h2-8,14,19,21H,9-10H2,1H3,(H,20,22).
What are the key properties of N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide?
N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide has a molecular weight of 363.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(azetidin-3-ylsulfonyl)-2-fluoro-3-methyl-5-phenylbenzohydrazide is sourced from PubChem (CID 134564615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).