2-[(4-bromophenyl)methylsulfonylmethyl]azetidine

C11H14BrNO2S — CID 115071097

IUPAC2-[(4-bromophenyl)methylsulfonylmethyl]azetidine
SMILESO=S(=O)(Cc1ccc(Br)cc1)CC1CCN1
InChIInChI=1S/C11H14BrNO2S/c12-10-3-1-9(2-4-10)7-16(14,15)8-11-5-6-13-11/h1-4,11,13H,5-8H2
InChIKeyWHCZXHUHKCZNQH-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.73
Rot. Bonds4

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

2-[(4-bromophenyl)methylsulfonylmethyl]azetidine (PubChem CID 115071097) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfonylmethyl]azetidine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfonylmethyl]azetidine
PubChem CID115071097
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name2-[(4-bromophenyl)methylsulfonylmethyl]azetidine
SMILESO=S(=O)(Cc1ccc(Br)cc1)CC1CCN1
InChIInChI=1S/C11H14BrNO2S/c12-10-3-1-9(2-4-10)7-16(14,15)8-11-5-6-13-11/h1-4,11,13H,5-8H2
InChIKeyWHCZXHUHKCZNQH-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine
CID 115071181
4-[[(2S)-piperidin-2-yl]methylsulfonylmethyl]pyridine
CID 97165941
2-[2-(2-bromophenyl)ethylsulfonylmethyl]azetidine
CID 115071174
2-[(4-bromophenyl)methylsulfonyl]-1-(3-methylpiperazin-1-yl)ethanone
CID 119580006
2-[(3-bromophenyl)sulfonylmethyl]azetidine
CID 115071054
(2R)-2-[(4-bromophenyl)sulfonylmethyl]piperidine
CID 97301336
3-[(4-bromophenyl)methylsulfonyl]azetidine
CID 115070286
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
1-bromo-4-(diiodomethylsulfonylmethyl)benzene
CID 21439638
tert-butyl 4-[(4-bromophenyl)methylsulfonylmethyl]piperidine-1-carboxylate
CID 148568248
1-[(4-bromophenyl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885048
2-[(4-fluorophenyl)sulfonylmethyl]azetidine
CID 115071066

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfonylmethyl]azetidine?
The IUPAC name of 2-[(4-bromophenyl)methylsulfonylmethyl]azetidine (CID 115071097) is 2-[(4-bromophenyl)methylsulfonylmethyl]azetidine.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfonylmethyl]azetidine?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfonylmethyl]azetidine is O=S(=O)(Cc1ccc(Br)cc1)CC1CCN1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfonylmethyl]azetidine?
The InChIKey is WHCZXHUHKCZNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c12-10-3-1-9(2-4-10)7-16(14,15)8-11-5-6-13-11/h1-4,11,13H,5-8H2.
What are the key properties of 2-[(4-bromophenyl)methylsulfonylmethyl]azetidine?
2-[(4-bromophenyl)methylsulfonylmethyl]azetidine has a molecular weight of 304.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfonylmethyl]azetidine is sourced from PubChem (CID 115071097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).