1-(2,5-dibromophenyl)sulfonylazetidin-3-ol

C9H9Br2NO3S — CID 63106090

IUPAC1-(2,5-dibromophenyl)sulfonylazetidin-3-ol
SMILESO=S(=O)(c1cc(Br)ccc1Br)N1CC(O)C1
InChIInChI=1S/C9H9Br2NO3S/c10-6-1-2-8(11)9(3-6)16(14,15)12-4-7(13)5-12/h1-3,7,13H,4-5H2
InChIKeyANYNBFZJBYJRIO-UHFFFAOYSA-N
MW371.05 g/mol
LogP1.58
Rot. Bonds2

About 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol

1-(2,5-dibromophenyl)sulfonylazetidin-3-ol (PubChem CID 63106090) has the molecular formula C9H9Br2NO3S and a molecular weight of 371.05 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)sulfonylazetidin-3-ol
PubChem CID63106090
Molecular FormulaC9H9Br2NO3S
Molecular Weight371.05 g/mol
Exact Mass368.87
IUPAC Name1-(2,5-dibromophenyl)sulfonylazetidin-3-ol
SMILESO=S(=O)(c1cc(Br)ccc1Br)N1CC(O)C1
InChIInChI=1S/C9H9Br2NO3S/c10-6-1-2-8(11)9(3-6)16(14,15)12-4-7(13)5-12/h1-3,7,13H,4-5H2
InChIKeyANYNBFZJBYJRIO-UHFFFAOYSA-N
XLogP1.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.05
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromophenyl)sulfonylpiperidin-4-ol
CID 43394309
1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol
CID 107212161
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
1-(2,5-dibromophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 60640129
1-(2,5-dibromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030797
1-[1-(2,5-dibromophenyl)sulfonylpiperidin-4-yl]ethanone
CID 63846251
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
1-(2,5-dibromophenyl)sulfonyl-4-ethylpiperidine
CID 47306024
4-bromo-3-(3-hydroxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 55133099
4-bromo-3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylbenzoic acid
CID 94895660
4-(2,5-dibromophenyl)sulfonyl-2-ethylthiomorpholine
CID 113242768
1-(2-bromoethyl)-4-(2,5-dibromophenyl)sulfonylpiperazine
CID 80675604

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol (CID 63106090) is 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol is O=S(=O)(c1cc(Br)ccc1Br)N1CC(O)C1.
What is the InChIKey of 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol?
The InChIKey is ANYNBFZJBYJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO3S/c10-6-1-2-8(11)9(3-6)16(14,15)12-4-7(13)5-12/h1-3,7,13H,4-5H2.
What are the key properties of 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol?
1-(2,5-dibromophenyl)sulfonylazetidin-3-ol has a molecular weight of 371.05 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)sulfonylazetidin-3-ol is sourced from PubChem (CID 63106090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).