1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole

C17H15ClN4O3S — CID 121154969

IUPAC1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole
SMILESO=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CC(n2ccnn2)C1
InChIInChI=1S/C17H15ClN4O3S/c18-16-3-1-2-4-17(16)25-14-5-7-15(8-6-14)26(23,24)21-11-13(12-21)22-10-9-19-20-22/h1-10,13H,11-12H2
InChIKeyRZORHQLNRPQJGD-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.97
Rot. Bonds5

About 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole

1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole (PubChem CID 121154969) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole.

Molecular Properties

Compound Name1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole
PubChem CID121154969
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole
SMILESO=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CC(n2ccnn2)C1
InChIInChI=1S/C17H15ClN4O3S/c18-16-3-1-2-4-17(16)25-14-5-7-15(8-6-14)26(23,24)21-11-13(12-21)22-10-9-19-20-22/h1-10,13H,11-12H2
InChIKeyRZORHQLNRPQJGD-UHFFFAOYSA-N
XLogP2.97
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]piperidine-4-carboxamide
CID 119099937
4-[4-(2-chlorophenoxy)phenyl]sulfonylmorpholine
CID 2940068
1-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 99877483
1-[1-(3,4-difluorophenyl)sulfonylazetidin-3-yl]triazole
CID 121154928
1-[1-(3-fluoro-4-methoxyphenyl)sulfonylazetidin-3-yl]triazole
CID 121154938
1-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121151092
2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90618031
8-[4-(2-chlorophenoxy)phenyl]sulfonyl-3-methylsulfanyl-8-azabicyclo[3.2.1]octane
CID 90616222
6-[4-(2-chlorophenoxy)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 72719553
2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154697
3-chloro-2-[3-(triazol-1-yl)azetidin-1-yl]pyridine
CID 121183771
2-chloro-6-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenoxy]benzonitrile
CID 3764651

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole?
The IUPAC name of 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole (CID 121154969) is 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole.
What is the SMILES notation for 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole?
The canonical SMILES for 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole is O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CC(n2ccnn2)C1.
What is the InChIKey of 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole?
The InChIKey is RZORHQLNRPQJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c18-16-3-1-2-4-17(16)25-14-5-7-15(8-6-14)26(23,24)21-11-13(12-21)22-10-9-19-20-22/h1-10,13H,11-12H2.
What are the key properties of 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole?
1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole has a molecular weight of 390.85 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylazetidin-3-yl]triazole is sourced from PubChem (CID 121154969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).