3-(4-bromophenyl)sulfonylazetidine;hydrochloride

C9H11BrClNO2S — CID 72716316

IUPAC3-(4-bromophenyl)sulfonylazetidine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C9H10BrNO2S.ClH/c10-7-1-3-8(4-2-7)14(12,13)9-5-11-6-9;/h1-4,9,11H,5-6H2;1H
InChIKeyFEQDCYYZPMCVTC-UHFFFAOYSA-N
MW312.62 g/mol
LogP1.62
Rot. Bonds2

About 3-(4-bromophenyl)sulfonylazetidine;hydrochloride

3-(4-bromophenyl)sulfonylazetidine;hydrochloride (PubChem CID 72716316) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonylazetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonylazetidine;hydrochloride
PubChem CID72716316
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC Name3-(4-bromophenyl)sulfonylazetidine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Br)cc1)C1CNC1
InChIInChI=1S/C9H10BrNO2S.ClH/c10-7-1-3-8(4-2-7)14(12,13)9-5-11-6-9;/h1-4,9,11H,5-6H2;1H
InChIKeyFEQDCYYZPMCVTC-UHFFFAOYSA-N
XLogP1.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonylazetidine;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)sulfonylazetidine;hydrochloride (CID 72716316) is 3-(4-bromophenyl)sulfonylazetidine;hydrochloride.
What is the SMILES notation for 3-(4-bromophenyl)sulfonylazetidine;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)sulfonylazetidine;hydrochloride is Cl.O=S(=O)(c1ccc(Br)cc1)C1CNC1.
What is the InChIKey of 3-(4-bromophenyl)sulfonylazetidine;hydrochloride?
The InChIKey is FEQDCYYZPMCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S.ClH/c10-7-1-3-8(4-2-7)14(12,13)9-5-11-6-9;/h1-4,9,11H,5-6H2;1H.
What are the key properties of 3-(4-bromophenyl)sulfonylazetidine;hydrochloride?
3-(4-bromophenyl)sulfonylazetidine;hydrochloride has a molecular weight of 312.62 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonylazetidine;hydrochloride is sourced from PubChem (CID 72716316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).