1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine

C14H13ClFNO3S2 — CID 22579283

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CC(OCc2ccccc2F)C1
InChIInChI=1S/C14H13ClFNO3S2/c15-13-5-6-14(21-13)22(18,19)17-7-11(8-17)20-9-10-3-1-2-4-12(10)16/h1-6,11H,7-9H2
InChIKeyMKTAJQYLUOKJCE-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.13
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine

1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine (PubChem CID 22579283) has the molecular formula C14H13ClFNO3S2 and a molecular weight of 361.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine
PubChem CID22579283
Molecular FormulaC14H13ClFNO3S2
Molecular Weight361.85 g/mol
Exact Mass361.00
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CC(OCc2ccccc2F)C1
InChIInChI=1S/C14H13ClFNO3S2/c15-13-5-6-14(21-13)22(18,19)17-7-11(8-17)20-9-10-3-1-2-4-12(10)16/h1-6,11H,7-9H2
InChIKeyMKTAJQYLUOKJCE-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine (CID 22579283) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine is O=S(=O)(c1ccc(Cl)s1)N1CC(OCc2ccccc2F)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine?
The InChIKey is MKTAJQYLUOKJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S2/c15-13-5-6-14(21-13)22(18,19)17-7-11(8-17)20-9-10-3-1-2-4-12(10)16/h1-6,11H,7-9H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine?
1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine has a molecular weight of 361.85 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-[(2-fluorophenyl)methoxy]azetidine is sourced from PubChem (CID 22579283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).