1-(2-bromophenyl)sulfonylazetidine

C9H10BrNO2S — CID 71748368

IUPAC1-(2-bromophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccccc1Br)N1CCC1
InChIInChI=1S/C9H10BrNO2S/c10-8-4-1-2-5-9(8)14(12,13)11-6-3-7-11/h1-2,4-5H,3,6-7H2
InChIKeyBRYAESLNJAKROL-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.84
Rot. Bonds2

About 1-(2-bromophenyl)sulfonylazetidine

1-(2-bromophenyl)sulfonylazetidine (PubChem CID 71748368) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(2-bromophenyl)sulfonylazetidine
PubChem CID71748368
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name1-(2-bromophenyl)sulfonylazetidine
SMILESO=S(=O)(c1ccccc1Br)N1CCC1
InChIInChI=1S/C9H10BrNO2S/c10-8-4-1-2-5-9(8)14(12,13)11-6-3-7-11/h1-2,4-5H,3,6-7H2
InChIKeyBRYAESLNJAKROL-UHFFFAOYSA-N
XLogP1.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)sulfonylazetidine?
The IUPAC name of 1-(2-bromophenyl)sulfonylazetidine (CID 71748368) is 1-(2-bromophenyl)sulfonylazetidine.
What is the SMILES notation for 1-(2-bromophenyl)sulfonylazetidine?
The canonical SMILES for 1-(2-bromophenyl)sulfonylazetidine is O=S(=O)(c1ccccc1Br)N1CCC1.
What is the InChIKey of 1-(2-bromophenyl)sulfonylazetidine?
The InChIKey is BRYAESLNJAKROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-8-4-1-2-5-9(8)14(12,13)11-6-3-7-11/h1-2,4-5H,3,6-7H2.
What are the key properties of 1-(2-bromophenyl)sulfonylazetidine?
1-(2-bromophenyl)sulfonylazetidine has a molecular weight of 276.15 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)sulfonylazetidine is sourced from PubChem (CID 71748368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).