1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol

C10H12BrClN2O3S — CID 62956549

IUPAC1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCC(O)C2)c1Br
InChIInChI=1S/C10H12BrClN2O3S/c11-10-8(13)3-6(12)4-9(10)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2
InChIKeyOYYFTSBWKSCLSN-UHFFFAOYSA-N
MW355.64 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol

1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62956549) has the molecular formula C10H12BrClN2O3S and a molecular weight of 355.64 g/mol. Its IUPAC name is 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
PubChem CID62956549
Molecular FormulaC10H12BrClN2O3S
Molecular Weight355.64 g/mol
Exact Mass353.94
IUPAC Name1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCC(O)C2)c1Br
InChIInChI=1S/C10H12BrClN2O3S/c11-10-8(13)3-6(12)4-9(10)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2
InChIKeyOYYFTSBWKSCLSN-UHFFFAOYSA-N
XLogP1.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677561
1-(3-amino-5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103051379
1-[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964793
1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 62918182
2-bromo-5-chloro-3-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62957606
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol
CID 107213103
1-(3-amino-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
2-bromo-5-chloro-3-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955319
(3S)-1-(2-amino-5-bromophenyl)sulfonylpyrrolidin-3-ol
CID 107212123
2-bromo-5-chloro-3-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542755
(3R)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 107212055

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol (CID 62956549) is 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol is Nc1cc(Cl)cc(S(=O)(=O)N2CCC(O)C2)c1Br.
What is the InChIKey of 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is OYYFTSBWKSCLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O3S/c11-10-8(13)3-6(12)4-9(10)18(16,17)14-2-1-7(15)5-14/h3-4,7,15H,1-2,5,13H2.
What are the key properties of 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol?
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 355.64 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62956549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).