4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole

C15H18ClN3O2S — CID 128587534

IUPAC4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H18ClN3O2S/c1-10-15(11(2)18(3)17-10)22(20,21)19-8-13(9-19)12-5-4-6-14(16)7-12/h4-7,13H,8-9H2,1-3H3
InChIKeyTTYMWMKDYHXUIU-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.48
Rot. Bonds3

About 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole

4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole (PubChem CID 128587534) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole
PubChem CID128587534
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H18ClN3O2S/c1-10-15(11(2)18(3)17-10)22(20,21)19-8-13(9-19)12-5-4-6-14(16)7-12/h4-7,13H,8-9H2,1-3H3
InChIKeyTTYMWMKDYHXUIU-UHFFFAOYSA-N
XLogP2.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
The IUPAC name of 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole (CID 128587534) is 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole is Cc1nn(C)c(C)c1S(=O)(=O)N1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
The InChIKey is TTYMWMKDYHXUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-10-15(11(2)18(3)17-10)22(20,21)19-8-13(9-19)12-5-4-6-14(16)7-12/h4-7,13H,8-9H2,1-3H3.
What are the key properties of 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole?
4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole has a molecular weight of 339.85 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)azetidin-1-yl]sulfonyl-1,3,5-trimethylpyrazole is sourced from PubChem (CID 128587534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).