1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine

C11H15BrN2O3S — CID 65245008

IUPAC1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CC(N)C1
InChIInChI=1S/C11H15BrN2O3S/c1-2-17-10-4-3-8(12)5-11(10)18(15,16)14-6-9(13)7-14/h3-5,9H,2,6-7,13H2,1H3
InChIKeyCOAZDRXMMIPGIT-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.18
Rot. Bonds4

About 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine

1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine (PubChem CID 65245008) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine
PubChem CID65245008
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CC(N)C1
InChIInChI=1S/C11H15BrN2O3S/c1-2-17-10-4-3-8(12)5-11(10)18(15,16)14-6-9(13)7-14/h3-5,9H,2,6-7,13H2,1H3
InChIKeyCOAZDRXMMIPGIT-UHFFFAOYSA-N
XLogP1.18
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79873730
1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperazine
CID 65450331
(3S)-1-(5-bromo-2-ethoxyphenyl)sulfonyl-3-methylpiperidine
CID 27211044
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-ethylpiperazin-4-ium
CID 4280017
2-[4-(5-bromo-2-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2377022
N-(2-aminocyclopropyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 43596964
1-(5-bromo-2-ethoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 1184062
1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
CID 65244581
5-bromo-2-ethoxybenzenesulfonic acid;hydrochloride
CID 174820450
1-(2,5-diethoxyphenyl)sulfonyl-3,5-dimethylpiperidine
CID 91670208
(2S)-1-(5-bromo-2-ethoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2422378

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine (CID 65245008) is 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine is CCOc1ccc(Br)cc1S(=O)(=O)N1CC(N)C1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine?
The InChIKey is COAZDRXMMIPGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-2-17-10-4-3-8(12)5-11(10)18(15,16)14-6-9(13)7-14/h3-5,9H,2,6-7,13H2,1H3.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine?
1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine has a molecular weight of 335.22 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)sulfonylazetidin-3-amine is sourced from PubChem (CID 65245008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).