1-(4-bromo-3-methoxyphenyl)sulfonylazetidine

C10H12BrNO3S — CID 170557116

IUPAC1-(4-bromo-3-methoxyphenyl)sulfonylazetidine
SMILESCOc1cc(S(=O)(=O)N2CCC2)ccc1Br
InChIInChI=1S/C10H12BrNO3S/c1-15-10-7-8(3-4-9(10)11)16(13,14)12-5-2-6-12/h3-4,7H,2,5-6H2,1H3
InChIKeyMULKREVVJQSSSP-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine

1-(4-bromo-3-methoxyphenyl)sulfonylazetidine (PubChem CID 170557116) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)sulfonylazetidine
PubChem CID170557116
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name1-(4-bromo-3-methoxyphenyl)sulfonylazetidine
SMILESCOc1cc(S(=O)(=O)N2CCC2)ccc1Br
InChIInChI=1S/C10H12BrNO3S/c1-15-10-7-8(3-4-9(10)11)16(13,14)12-5-2-6-12/h3-4,7H,2,5-6H2,1H3
InChIKeyMULKREVVJQSSSP-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine 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

CID 765795
CID 765795
CID 882981
CID 882981
CID 935668
CID 935668
CID 850059
CID 850059
CID 850060
CID 850060
CID 850071
CID 850071
CID 47001060
CID 47001060
CID 50876026
CID 50876026
CID 28384691
CID 28384691
CID 8721896
CID 8721896
CID 16807445
CID 16807445
CID 850050
CID 850050

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine (CID 170557116) is 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine is COc1cc(S(=O)(=O)N2CCC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine?
The InChIKey is MULKREVVJQSSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-15-10-7-8(3-4-9(10)11)16(13,14)12-5-2-6-12/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine?
1-(4-bromo-3-methoxyphenyl)sulfonylazetidine has a molecular weight of 306.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)sulfonylazetidine is sourced from PubChem (CID 170557116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).