3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine

C17H18FNO3S — CID 46354286

IUPAC3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine
SMILESCc1ccccc1S(=O)(=O)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H18FNO3S/c1-13-4-2-3-5-17(13)23(20,21)19-10-16(11-19)22-12-14-6-8-15(18)9-7-14/h2-9,16H,10-12H2,1H3
InChIKeyIIPCCFFWGVLPHQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.72
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine

3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine (PubChem CID 46354286) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine
PubChem CID46354286
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine
SMILESCc1ccccc1S(=O)(=O)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H18FNO3S/c1-13-4-2-3-5-17(13)23(20,21)19-10-16(11-19)22-12-14-6-8-15(18)9-7-14/h2-9,16H,10-12H2,1H3
InChIKeyIIPCCFFWGVLPHQ-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine (CID 46354286) is 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine is Cc1ccccc1S(=O)(=O)N1CC(OCc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine?
The InChIKey is IIPCCFFWGVLPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-13-4-2-3-5-17(13)23(20,21)19-10-16(11-19)22-12-14-6-8-15(18)9-7-14/h2-9,16H,10-12H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine?
3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine has a molecular weight of 335.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-1-(2-methylphenyl)sulfonylazetidine is sourced from PubChem (CID 46354286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).