[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol

C10H12BrClN2O3S — CID 107213103

IUPAC[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CC(CO)C2)c1Br
InChIInChI=1S/C10H12BrClN2O3S/c11-10-8(13)1-7(12)2-9(10)18(16,17)14-3-6(4-14)5-15/h1-2,6,15H,3-5,13H2
InChIKeyVJISJZOSGKMKGD-UHFFFAOYSA-N
MW355.64 g/mol
LogP1.30
Rot. Bonds3

About [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol

[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol (PubChem CID 107213103) 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)sulfonylazetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol
PubChem CID107213103
Molecular FormulaC10H12BrClN2O3S
Molecular Weight355.64 g/mol
Exact Mass353.94
IUPAC Name[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CC(CO)C2)c1Br
InChIInChI=1S/C10H12BrClN2O3S/c11-10-8(13)1-7(12)2-9(10)18(16,17)14-3-6(4-14)5-15/h1-2,6,15H,3-5,13H2
InChIKeyVJISJZOSGKMKGD-UHFFFAOYSA-N
XLogP1.30
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 51.30
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)sulfonylazetidin-3-yl]methanol 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

2-bromo-5-chloro-3-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542755
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-ol
CID 62956549
2-bromo-5-chloro-3-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62957606
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102777084
1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677561
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
CID 62955833
1-[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 115964793
2-bromo-5-chloro-3-(3-ethyl-4-methylpiperazin-1-yl)sulfonylaniline
CID 63605231
2-bromo-5-chloro-3-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955319
[1-(5-amino-2-bromophenyl)sulfonylazetidin-3-yl]methanol
CID 107213096
[1-(5-amino-2,4-difluorophenyl)sulfonylazetidin-3-yl]methanol
CID 107213160

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol?
The IUPAC name of [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol (CID 107213103) is [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol.
What is the SMILES notation for [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol?
The canonical SMILES for [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol is Nc1cc(Cl)cc(S(=O)(=O)N2CC(CO)C2)c1Br.
What is the InChIKey of [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol?
The InChIKey is VJISJZOSGKMKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O3S/c11-10-8(13)1-7(12)2-9(10)18(16,17)14-3-6(4-14)5-15/h1-2,6,15H,3-5,13H2.
What are the key properties of [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol?
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol has a molecular weight of 355.64 g/mol, XLogP of 1.30, 3 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)sulfonylazetidin-3-yl]methanol is sourced from PubChem (CID 107213103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).