3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide

C14H20N2O5S — CID 166208388

IUPAC3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide
SMILESCOC1CN(S(=O)(=O)Nc2ccc(OC3CCOC3)cc2)C1
InChIInChI=1S/C14H20N2O5S/c1-19-14-8-16(9-14)22(17,18)15-11-2-4-12(5-3-11)21-13-6-7-20-10-13/h2-5,13-15H,6-10H2,1H3
InChIKeyLOQWXJNKJVPGPG-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.84
Rot. Bonds6

About 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide

3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide (PubChem CID 166208388) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide
PubChem CID166208388
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide
SMILESCOC1CN(S(=O)(=O)Nc2ccc(OC3CCOC3)cc2)C1
InChIInChI=1S/C14H20N2O5S/c1-19-14-8-16(9-14)22(17,18)15-11-2-4-12(5-3-11)21-13-6-7-20-10-13/h2-5,13-15H,6-10H2,1H3
InChIKeyLOQWXJNKJVPGPG-UHFFFAOYSA-N
XLogP0.84
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide?
The IUPAC name of 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide (CID 166208388) is 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide is COC1CN(S(=O)(=O)Nc2ccc(OC3CCOC3)cc2)C1.
What is the InChIKey of 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide?
The InChIKey is LOQWXJNKJVPGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-19-14-8-16(9-14)22(17,18)15-11-2-4-12(5-3-11)21-13-6-7-20-10-13/h2-5,13-15H,6-10H2,1H3.
What are the key properties of 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide?
3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]azetidine-1-sulfonamide is sourced from PubChem (CID 166208388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).