1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol

C12H16Br2N2O3S — CID 115964810

IUPAC1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1
InChIInChI=1S/C12H16Br2N2O3S/c1-7(17)8-2-3-16(6-8)20(18,19)12-10(14)4-9(13)5-11(12)15/h4-5,7-8,17H,2-3,6,15H2,1H3
InChIKeyFBYQOLYQXUYZJZ-UHFFFAOYSA-N
MW428.15 g/mol
LogP2.19
Rot. Bonds3

About 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol

1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol (PubChem CID 115964810) has the molecular formula C12H16Br2N2O3S and a molecular weight of 428.15 g/mol. Its IUPAC name is 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol
PubChem CID115964810
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC Name1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1
InChIInChI=1S/C12H16Br2N2O3S/c1-7(17)8-2-3-16(6-8)20(18,19)12-10(14)4-9(13)5-11(12)15/h4-5,7-8,17H,2-3,6,15H2,1H3
InChIKeyFBYQOLYQXUYZJZ-UHFFFAOYSA-N
XLogP2.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 52.19
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-[1-(3-amino-5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 114380091
[1-(2-amino-4,6-dibromophenyl)sulfonylpiperidin-4-yl]methanol
CID 43258861
3,5-dibromo-2-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219950
1-[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964793
3,5-dibromo-2-pyrrolidin-1-ylsulfonylaniline
CID 43256817
2-(azepan-1-ylsulfonyl)-3,5-dibromoaniline
CID 43257095
1-[1-(3-amino-4-chloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964796
3,5-difluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 110019041
1-[1-(4-amino-2-bromophenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835153
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenol
CID 112626701
3,5-dibromo-2-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43256908
1-[1-(3-amino-2,6-dimethylphenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835223

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol (CID 115964810) is 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol is CC(O)C1CCN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1.
What is the InChIKey of 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol?
The InChIKey is FBYQOLYQXUYZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c1-7(17)8-2-3-16(6-8)20(18,19)12-10(14)4-9(13)5-11(12)15/h4-5,7-8,17H,2-3,6,15H2,1H3.
What are the key properties of 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol?
1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol has a molecular weight of 428.15 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-4,6-dibromophenyl)sulfonylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115964810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).