1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine

C13H18ClNO4S2 — CID 90594382

IUPAC1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO4S2/c1-10(2)9-20(16,17)13-7-15(8-13)21(18,19)12-5-3-11(14)4-6-12/h3-6,10,13H,7-9H2,1-2H3
InChIKeyKPEZHEHQSYLQJN-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.78
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine

1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine (PubChem CID 90594382) has the molecular formula C13H18ClNO4S2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
PubChem CID90594382
Molecular FormulaC13H18ClNO4S2
Molecular Weight351.88 g/mol
Exact Mass351.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
SMILESCC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO4S2/c1-10(2)9-20(16,17)13-7-15(8-13)21(18,19)12-5-3-11(14)4-6-12/h3-6,10,13H,7-9H2,1-2H3
InChIKeyKPEZHEHQSYLQJN-UHFFFAOYSA-N
XLogP1.78
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine 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-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594332
3-(2-methylpropylsulfonyl)-1-(4-phenoxyphenyl)sulfonylazetidine
CID 90594404
1-[4-(3-methylphenoxy)phenyl]sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594410
(E)-3-(4-chlorophenyl)-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]prop-2-en-1-one
CID 90594222
1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
CID 154870443
4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 90590371
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(2-bromophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 72719105
3-(4-chlorophenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylazetidine
CID 90595223
1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine
CID 121164715
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
3-(4-chlorophenyl)sulfonyl-1-propan-2-ylsulfonylazetidine
CID 90595142

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine (CID 90594382) is 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine is CC(C)CS(=O)(=O)C1CN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine?
The InChIKey is KPEZHEHQSYLQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S2/c1-10(2)9-20(16,17)13-7-15(8-13)21(18,19)12-5-3-11(14)4-6-12/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine?
1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine has a molecular weight of 351.88 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine is sourced from PubChem (CID 90594382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).