4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride

C12H7BrClF2NO3S — CID 104796604

IUPAC4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C12H7BrClF2NO3S/c13-7-1-2-8(17-5-7)6-20-12-10(15)3-9(4-11(12)16)21(14,18)19/h1-5H,6H2
InChIKeyDMAZISYJLCEFJK-UHFFFAOYSA-N
MW398.61 g/mol
LogP3.63
Rot. Bonds4

About 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride

4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride (PubChem CID 104796604) has the molecular formula C12H7BrClF2NO3S and a molecular weight of 398.61 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
PubChem CID104796604
Molecular FormulaC12H7BrClF2NO3S
Molecular Weight398.61 g/mol
Exact Mass396.90
IUPAC Name4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(F)c(OCc2ccc(Br)cn2)c(F)c1
InChIInChI=1S/C12H7BrClF2NO3S/c13-7-1-2-8(17-5-7)6-20-12-10(15)3-9(4-11(12)16)21(14,18)19/h1-5H,6H2
InChIKeyDMAZISYJLCEFJK-UHFFFAOYSA-N
XLogP3.63
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.61
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride 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

4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride
CID 104796586
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 104796562
2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 104796598
4-[(2-bromophenyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 81264837
4-[(3-chloro-4-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82912389
3,5-difluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 81264847
2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 104797513
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82912390
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 107689523
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
1-[(5-bromo-2-pyridinyl)methyl]pyrazole-4-sulfonyl chloride
CID 104808098
1-[2-[(5-bromo-2-pyridinyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 104796464

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride (CID 104796604) is 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(F)c(OCc2ccc(Br)cn2)c(F)c1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
The InChIKey is DMAZISYJLCEFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO3S/c13-7-1-2-8(17-5-7)6-20-12-10(15)3-9(4-11(12)16)21(14,18)19/h1-5H,6H2.
What are the key properties of 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride?
4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride has a molecular weight of 398.61 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 104796604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).