(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol

C11H15BrN2O3S — CID 107212055

IUPAC(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H15BrN2O3S/c1-7-4-9(12)10(13)5-11(7)18(16,17)14-3-2-8(15)6-14/h4-5,8,15H,2-3,6,13H2,1H3/t8-/m1/s1
InChIKeyXDRWPAWVOIPZMS-MRVPVSSYSA-N
MW335.22 g/mol
LogP1.10
Rot. Bonds2

About (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 107212055) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID107212055
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC Name(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H15BrN2O3S/c1-7-4-9(12)10(13)5-11(7)18(16,17)14-3-2-8(15)6-14/h4-5,8,15H,2-3,6,13H2,1H3/t8-/m1/s1
InChIKeyXDRWPAWVOIPZMS-MRVPVSSYSA-N
XLogP1.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.10
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

(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869
2-bromo-5-(3,4-dimethylpiperidin-1-yl)sulfonyl-4-methylaniline
CID 114626275
(3R)-1-(5-amino-4-bromo-2-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 107212054
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
(3S)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213866
1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 114625870
2-[1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 107211984
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
[4-(5-amino-4-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 114625968
2-hydroxy-5-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methylbenzoic acid
CID 62943562
2-hydroxy-5-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonyl-4-methylbenzoic acid
CID 107215006
1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79896400

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol (CID 107212055) is (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol is Cc1cc(Br)c(N)cc1S(=O)(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is XDRWPAWVOIPZMS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c1-7-4-9(12)10(13)5-11(7)18(16,17)14-3-2-8(15)6-14/h4-5,8,15H,2-3,6,13H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 335.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 107212055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).