3-[(4-bromophenyl)methylsulfonyl]azetidine

C10H12BrNO2S — CID 115070286

IUPAC3-[(4-bromophenyl)methylsulfonyl]azetidine
SMILESO=S(=O)(Cc1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C10H12BrNO2S/c11-9-3-1-8(2-4-9)7-15(13,14)10-5-12-6-10/h1-4,10,12H,5-7H2
InChIKeyBJLBVJIAAXNTEQ-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.34
Rot. Bonds3

About 3-[(4-bromophenyl)methylsulfonyl]azetidine

3-[(4-bromophenyl)methylsulfonyl]azetidine (PubChem CID 115070286) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylsulfonyl]azetidine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylsulfonyl]azetidine
PubChem CID115070286
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name3-[(4-bromophenyl)methylsulfonyl]azetidine
SMILESO=S(=O)(Cc1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C10H12BrNO2S/c11-9-3-1-8(2-4-9)7-15(13,14)10-5-12-6-10/h1-4,10,12H,5-7H2
InChIKeyBJLBVJIAAXNTEQ-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-3-ylsulfonylmethyl)phenol
CID 115070287
3-benzylsulfonylazetidine
CID 71777930
3-(4-bromophenyl)sulfonylazetidine;hydrochloride
CID 72716316
1-bromo-4-(diiodomethylsulfonylmethyl)benzene
CID 21439638
3-[2-(4-methylphenyl)ethylsulfonyl]azetidine
CID 115070382
2-[(4-bromophenyl)methylsulfonylmethyl]azetidine
CID 115071097
1-bromo-3-(cyclopropylsulfonylmethyl)benzene
CID 163343010
sodium;(4-bromophenyl)methanesulfonic acid;hydride
CID 173334336
[4-(cyclopentylsulfonylmethyl)phenyl]methanol
CID 110004765
3-[(4-bromophenyl)methoxy]azetidine
CID 53409423
3-[(4-bromophenyl)methyl]-3,7-diazabicyclo[3.3.1]nonane
CID 178122769
4-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71645638

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylsulfonyl]azetidine?
The IUPAC name of 3-[(4-bromophenyl)methylsulfonyl]azetidine (CID 115070286) is 3-[(4-bromophenyl)methylsulfonyl]azetidine.
What is the SMILES notation for 3-[(4-bromophenyl)methylsulfonyl]azetidine?
The canonical SMILES for 3-[(4-bromophenyl)methylsulfonyl]azetidine is O=S(=O)(Cc1ccc(Br)cc1)C1CNC1.
What is the InChIKey of 3-[(4-bromophenyl)methylsulfonyl]azetidine?
The InChIKey is BJLBVJIAAXNTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-9-3-1-8(2-4-9)7-15(13,14)10-5-12-6-10/h1-4,10,12H,5-7H2.
What are the key properties of 3-[(4-bromophenyl)methylsulfonyl]azetidine?
3-[(4-bromophenyl)methylsulfonyl]azetidine has a molecular weight of 290.18 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylsulfonyl]azetidine is sourced from PubChem (CID 115070286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).