2-[(3-bromophenyl)sulfonylmethyl]azetidine

C10H12BrNO2S — CID 115071054

IUPAC2-[(3-bromophenyl)sulfonylmethyl]azetidine
SMILESO=S(=O)(CC1CCN1)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2S/c11-8-2-1-3-10(6-8)15(13,14)7-9-4-5-12-9/h1-3,6,9,12H,4-5,7H2
InChIKeyYORSWJPQNMIZEW-UHFFFAOYSA-N
MW290.18 g/mol
LogP1.58
Rot. Bonds3

About 2-[(3-bromophenyl)sulfonylmethyl]azetidine

2-[(3-bromophenyl)sulfonylmethyl]azetidine (PubChem CID 115071054) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfonylmethyl]azetidine.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfonylmethyl]azetidine
PubChem CID115071054
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-[(3-bromophenyl)sulfonylmethyl]azetidine
SMILESO=S(=O)(CC1CCN1)c1cccc(Br)c1
InChIInChI=1S/C10H12BrNO2S/c11-8-2-1-3-10(6-8)15(13,14)7-9-4-5-12-9/h1-3,6,9,12H,4-5,7H2
InChIKeyYORSWJPQNMIZEW-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-(cyclohexylmethylsulfonyl)benzene
CID 67130389
4-[(3-bromophenyl)sulfonylmethyl]oxane
CID 138986033
4-[2-(3-bromophenyl)sulfonylethyl]piperidine
CID 57195394
2-[(4-fluorophenyl)sulfonylmethyl]azetidine
CID 115071066
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630030
2-[2-(3-bromophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581656
2-[(4-bromophenyl)methylsulfonylmethyl]azetidine
CID 115071097
N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide
CID 138020430
2-[2-(3-bromophenyl)sulfonylethyl]-1,3-dioxane
CID 66473772
1-bromo-3-(3-fluoropropylsulfonyl)benzene
CID 84715101

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfonylmethyl]azetidine?
The IUPAC name of 2-[(3-bromophenyl)sulfonylmethyl]azetidine (CID 115071054) is 2-[(3-bromophenyl)sulfonylmethyl]azetidine.
What is the SMILES notation for 2-[(3-bromophenyl)sulfonylmethyl]azetidine?
The canonical SMILES for 2-[(3-bromophenyl)sulfonylmethyl]azetidine is O=S(=O)(CC1CCN1)c1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)sulfonylmethyl]azetidine?
The InChIKey is YORSWJPQNMIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-8-2-1-3-10(6-8)15(13,14)7-9-4-5-12-9/h1-3,6,9,12H,4-5,7H2.
What are the key properties of 2-[(3-bromophenyl)sulfonylmethyl]azetidine?
2-[(3-bromophenyl)sulfonylmethyl]azetidine has a molecular weight of 290.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfonylmethyl]azetidine is sourced from PubChem (CID 115071054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).