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

C12H7BrCl3NO3S — CID 104796586

IUPAC4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C12H7BrCl3NO3S/c13-7-1-2-8(17-5-7)6-20-12-10(14)3-9(4-11(12)15)21(16,18)19/h1-5H,6H2
InChIKeyKINRYJPNJOHDNZ-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.66
Rot. Bonds4

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

4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride (PubChem CID 104796586) has the molecular formula C12H7BrCl3NO3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride
PubChem CID104796586
Molecular FormulaC12H7BrCl3NO3S
Molecular Weight431.52 g/mol
Exact Mass428.84
IUPAC Name4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C12H7BrCl3NO3S/c13-7-1-2-8(17-5-7)6-20-12-10(14)3-9(4-11(12)15)21(16,18)19/h1-5H,6H2
InChIKeyKINRYJPNJOHDNZ-UHFFFAOYSA-N
XLogP4.66
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-bromo-2-pyridinyl)methoxy]-3,5-difluorobenzenesulfonyl chloride
CID 104796604
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzenesulfonyl chloride
CID 104796562
2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 104796598
5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
CID 104799100
3,5-dichloro-4-[(4-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 60800740
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
CID 104796203
3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 61057811
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
1-[(5-bromo-2-pyridinyl)methyl]pyrazole-4-sulfonyl chloride
CID 104808098
5-bromo-2-[(2-chloro-5-nitrophenoxy)methyl]pyridine
CID 113455750

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride (CID 104796586) is 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(OCc2ccc(Br)cn2)c(Cl)c1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride?
The InChIKey is KINRYJPNJOHDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl3NO3S/c13-7-1-2-8(17-5-7)6-20-12-10(14)3-9(4-11(12)15)21(16,18)19/h1-5H,6H2.
What are the key properties of 4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride?
4-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorobenzenesulfonyl chloride has a molecular weight of 431.52 g/mol, XLogP of 4.66, 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-dichlorobenzenesulfonyl chloride is sourced from PubChem (CID 104796586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).