2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine

C12H16BrNO2S — CID 115071181

IUPAC2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine
SMILESO=S(=O)(CCc1ccc(Br)cc1)CC1CCN1
InChIInChI=1S/C12H16BrNO2S/c13-11-3-1-10(2-4-11)6-8-17(15,16)9-12-5-7-14-12/h1-4,12,14H,5-9H2
InChIKeyBJUVLJMSROVUKJ-UHFFFAOYSA-N
MW318.24 g/mol
LogP1.77
Rot. Bonds5

About 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine

2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine (PubChem CID 115071181) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine
PubChem CID115071181
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine
SMILESO=S(=O)(CCc1ccc(Br)cc1)CC1CCN1
InChIInChI=1S/C12H16BrNO2S/c13-11-3-1-10(2-4-11)6-8-17(15,16)9-12-5-7-14-12/h1-4,12,14H,5-9H2
InChIKeyBJUVLJMSROVUKJ-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-bromophenyl)ethylsulfonylmethyl]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

2-[(4-bromophenyl)methylsulfonylmethyl]azetidine
CID 115071097
2-[2-(2-bromophenyl)ethylsulfonylmethyl]azetidine
CID 115071174
2-[2-(4-chlorophenyl)ethylsulfonylmethyl]pyrrolidine
CID 115071203
2-[2-(4-methoxyphenyl)ethylsulfonylmethyl]piperidine
CID 115071228
2-[2-(2-fluorophenyl)ethylsulfonylmethyl]azetidine
CID 115071172
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
CID 115071222
2-[(3-bromophenyl)sulfonylmethyl]azetidine
CID 115071054
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
2-(4-bromophenyl)-N,N-dimethylethanesulfonamide
CID 175834511
1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
3-(2-phenylethylsulfonylmethyl)azetidine
CID 81198425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine?
The IUPAC name of 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine (CID 115071181) is 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine?
The canonical SMILES for 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine is O=S(=O)(CCc1ccc(Br)cc1)CC1CCN1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine?
The InChIKey is BJUVLJMSROVUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c13-11-3-1-10(2-4-11)6-8-17(15,16)9-12-5-7-14-12/h1-4,12,14H,5-9H2.
What are the key properties of 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine?
2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine has a molecular weight of 318.24 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine is sourced from PubChem (CID 115071181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).