1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol

C11H13BrClNO3S — CID 106606344

IUPAC1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C11H13BrClNO3S/c1-2-11(15)6-14(7-11)18(16,17)8-3-4-10(13)9(12)5-8/h3-5,15H,2,6-7H2,1H3
InChIKeyALWNFHOHHVLOIH-UHFFFAOYSA-N
MW354.65 g/mol
LogP2.25
Rot. Bonds3

About 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol

1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol (PubChem CID 106606344) has the molecular formula C11H13BrClNO3S and a molecular weight of 354.65 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol
PubChem CID106606344
Molecular FormulaC11H13BrClNO3S
Molecular Weight354.65 g/mol
Exact Mass352.95
IUPAC Name1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C11H13BrClNO3S/c1-2-11(15)6-14(7-11)18(16,17)8-3-4-10(13)9(12)5-8/h3-5,15H,2,6-7H2,1H3
InChIKeyALWNFHOHHVLOIH-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.65
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonylbenzoic acid
CID 107215656
1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
CID 106612253
3-bromo-5-(3-ethyl-3-hydroxyazetidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 107215650
3-ethyl-1-(3-fluoro-4-nitrophenyl)sulfonylazetidin-3-ol
CID 82854292
(NE)-N-[1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 106606120
2-[1-(3-bromo-4-chlorophenyl)sulfonylazetidin-3-yl]propanoic acid
CID 106605652
1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 106546810
1-(3-bromo-4-chlorophenyl)sulfonyl-4-prop-2-ynylpiperazine
CID 106546622
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
CID 106613066
4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 106546001
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine
CID 106613268
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol (CID 106606344) is 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol is CCC1(O)CN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol?
The InChIKey is ALWNFHOHHVLOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO3S/c1-2-11(15)6-14(7-11)18(16,17)8-3-4-10(13)9(12)5-8/h3-5,15H,2,6-7H2,1H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol?
1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol has a molecular weight of 354.65 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol is sourced from PubChem (CID 106606344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).