3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine

C14H13ClFNO3S2 — CID 53089872

IUPAC3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine
SMILESO=S(=O)(c1cccs1)N1CC(OCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H13ClFNO3S2/c15-13-6-11(16)4-3-10(13)9-20-12-7-17(8-12)22(18,19)14-2-1-5-21-14/h1-6,12H,7-9H2
InChIKeyPMNIQQQARPERPO-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.13
Rot. Bonds5

About 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine

3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine (PubChem CID 53089872) has the molecular formula C14H13ClFNO3S2 and a molecular weight of 361.85 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine
PubChem CID53089872
Molecular FormulaC14H13ClFNO3S2
Molecular Weight361.85 g/mol
Exact Mass361.00
IUPAC Name3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine
SMILESO=S(=O)(c1cccs1)N1CC(OCc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H13ClFNO3S2/c15-13-6-11(16)4-3-10(13)9-20-12-7-17(8-12)22(18,19)14-2-1-5-21-14/h1-6,12H,7-9H2
InChIKeyPMNIQQQARPERPO-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 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine (CID 53089872) is 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine is O=S(=O)(c1cccs1)N1CC(OCc2ccc(F)cc2Cl)C1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine?
The InChIKey is PMNIQQQARPERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S2/c15-13-6-11(16)4-3-10(13)9-20-12-7-17(8-12)22(18,19)14-2-1-5-21-14/h1-6,12H,7-9H2.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine?
3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine 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 3-[(2-chloro-4-fluorophenyl)methoxy]-1-thiophen-2-ylsulfonylazetidine is sourced from PubChem (CID 53089872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).