1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine

C12H14ClNO2S — CID 154870443

IUPAC1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC(C2CC2)C1
InChIInChI=1S/C12H14ClNO2S/c13-11-3-5-12(6-4-11)17(15,16)14-7-10(8-14)9-1-2-9/h3-6,9-10H,1-2,7-8H2
InChIKeyOHHIGAPSJFRZOS-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.37
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine

1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine (PubChem CID 154870443) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
PubChem CID154870443
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CC(C2CC2)C1
InChIInChI=1S/C12H14ClNO2S/c13-11-3-5-12(6-4-11)17(15,16)14-7-10(8-14)9-1-2-9/h3-6,9-10H,1-2,7-8H2
InChIKeyOHHIGAPSJFRZOS-UHFFFAOYSA-N
XLogP2.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine 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-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
3-(bromomethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 80675042
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594382
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
(2S)-1-(4-chlorophenyl)sulfonyl-2-cyclopropylpiperidine
CID 70332287
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 55168097
3-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159644
(8aR)-2-(4-chlorophenyl)sulfonyl-1,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium
CID 11922111

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine (CID 154870443) is 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine is O=S(=O)(c1ccc(Cl)cc1)N1CC(C2CC2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine?
The InChIKey is OHHIGAPSJFRZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2S/c13-11-3-5-12(6-4-11)17(15,16)14-7-10(8-14)9-1-2-9/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine?
1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine has a molecular weight of 271.77 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine is sourced from PubChem (CID 154870443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).