1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine

C11H14BrNO4S2 — CID 121164715

IUPAC1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C11H14BrNO4S2/c1-2-18(14,15)11-7-13(8-11)19(16,17)10-5-3-9(12)4-6-10/h3-6,11H,2,7-8H2,1H3
InChIKeyRDUZTDQFPMOKAJ-UHFFFAOYSA-N
MW368.27 g/mol
LogP1.26
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine

1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine (PubChem CID 121164715) has the molecular formula C11H14BrNO4S2 and a molecular weight of 368.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine
PubChem CID121164715
Molecular FormulaC11H14BrNO4S2
Molecular Weight368.27 g/mol
Exact Mass366.95
IUPAC Name1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine
SMILESCCS(=O)(=O)C1CN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C11H14BrNO4S2/c1-2-18(14,15)11-7-13(8-11)19(16,17)10-5-3-9(12)4-6-10/h3-6,11H,2,7-8H2,1H3
InChIKeyRDUZTDQFPMOKAJ-UHFFFAOYSA-N
XLogP1.26
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
1-(4-bromophenyl)sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 63175057
1-(4-chlorophenyl)sulfonyl-3-(2-methylpropylsulfonyl)azetidine
CID 90594382
1-(4-bromophenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79994044
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
3-(bromomethyl)-1-(4-bromophenyl)sulfonylpyrrolidine
CID 80675386
1-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977924
(1S,5R)-3-(4-bromophenyl)sulfonyl-1-methyl-3-azabicyclo[3.1.0]hexane
CID 154868510
4-bromo-1-(4-bromophenyl)sulfonyl-3-methylpiperidine
CID 114683729
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
3-(2-methylpropylsulfonyl)-1-(4-phenoxyphenyl)sulfonylazetidine
CID 90594404

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine (CID 121164715) is 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine is CCS(=O)(=O)C1CN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine?
The InChIKey is RDUZTDQFPMOKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S2/c1-2-18(14,15)11-7-13(8-11)19(16,17)10-5-3-9(12)4-6-10/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine?
1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine has a molecular weight of 368.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-3-ethylsulfonylazetidine is sourced from PubChem (CID 121164715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).