1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol

C9H11BrN2O3S — CID 107212161

IUPAC1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol
SMILESNc1cc(Br)ccc1S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C9H11BrN2O3S/c10-6-1-2-9(8(11)3-6)16(14,15)12-4-7(13)5-12/h1-3,7,13H,4-5,11H2
InChIKeyBVIYUEJHEGHTER-UHFFFAOYSA-N
MW307.17 g/mol
LogP0.40
Rot. Bonds2

About 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol

1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol (PubChem CID 107212161) has the molecular formula C9H11BrN2O3S and a molecular weight of 307.17 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol
PubChem CID107212161
Molecular FormulaC9H11BrN2O3S
Molecular Weight307.17 g/mol
Exact Mass305.97
IUPAC Name1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol
SMILESNc1cc(Br)ccc1S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C9H11BrN2O3S/c10-6-1-2-9(8(11)3-6)16(14,15)12-4-7(13)5-12/h1-3,7,13H,4-5,11H2
InChIKeyBVIYUEJHEGHTER-UHFFFAOYSA-N
XLogP0.40
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol
CID 107212176
1-(2,5-dibromophenyl)sulfonylazetidin-3-ol
CID 63106090
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
CID 107212187
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
5-bromo-2-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256810
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-5-bromoaniline
CID 63150919
1-(2-amino-4-bromophenyl)sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 63164439
5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43257108
4-bromo-2-(3,5-dimethylpiperidin-1-yl)sulfonylaniline
CID 54888558
5-bromo-2-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 43372850
5-bromo-2-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylaniline
CID 61116799
1-(3-amino-2,4-dimethylphenyl)sulfonylazetidin-3-ol
CID 114240450

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol (CID 107212161) is 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol is Nc1cc(Br)ccc1S(=O)(=O)N1CC(O)C1.
What is the InChIKey of 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol?
The InChIKey is BVIYUEJHEGHTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3S/c10-6-1-2-9(8(11)3-6)16(14,15)12-4-7(13)5-12/h1-3,7,13H,4-5,11H2.
What are the key properties of 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol?
1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol has a molecular weight of 307.17 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol is sourced from PubChem (CID 107212161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).