3,4-dibromopyridine-2-sulfonyl chloride

C5H2Br2ClNO2S — CID 131008415

IUPAC3,4-dibromopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nccc(Br)c1Br
InChIInChI=1S/C5H2Br2ClNO2S/c6-3-1-2-9-5(4(3)7)12(8,10)11/h1-2H
InChIKeyQTXKZSFQBSRPST-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.53
Rot. Bonds1

About 3,4-dibromopyridine-2-sulfonyl chloride

3,4-dibromopyridine-2-sulfonyl chloride (PubChem CID 131008415) has the molecular formula C5H2Br2ClNO2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 3,4-dibromopyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3,4-dibromopyridine-2-sulfonyl chloride
PubChem CID131008415
Molecular FormulaC5H2Br2ClNO2S
Molecular Weight335.40 g/mol
Exact Mass332.79
IUPAC Name3,4-dibromopyridine-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1nccc(Br)c1Br
InChIInChI=1S/C5H2Br2ClNO2S/c6-3-1-2-9-5(4(3)7)12(8,10)11/h1-2H
InChIKeyQTXKZSFQBSRPST-UHFFFAOYSA-N
XLogP2.53
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-[(4-bromo-2-pyridinyl)sulfonylamino]pyridine-2-sulfonyl chloride
CID 167313550
isoquinoline-1-sulfonyl chloride;hydrochloride
CID 19796336
3-iodopyridine-2-sulfonyl chloride
CID 175963839
3-chloro-4-(difluoromethyl)pyridine-2-sulfonyl chloride
CID 130095750
3,4-dimethoxypyridine-2-sulfonyl chloride
CID 141469217
3-fluoro-4-methoxypyridine-2-sulfonyl chloride
CID 130785648
2-bromo-4-fluoropyridine-3-sulfonyl chloride
CID 131029000
5-bromo-1,3-thiazole-4-sulfonyl chloride
CID 171935547
3,4-dibromo-2-sulfanylbenzenesulfonyl chloride
CID 141094776
4-iodopyridine-2-sulfonyl chloride
CID 146526045
chloro 2-chlorosulfonyl-4-methylpyridine-3-carboxylate
CID 174946745
4-bromobenzenesulfonyl chloride
CID 174561770

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromopyridine-2-sulfonyl chloride?
The IUPAC name of 3,4-dibromopyridine-2-sulfonyl chloride (CID 131008415) is 3,4-dibromopyridine-2-sulfonyl chloride.
What is the SMILES notation for 3,4-dibromopyridine-2-sulfonyl chloride?
The canonical SMILES for 3,4-dibromopyridine-2-sulfonyl chloride is O=S(=O)(Cl)c1nccc(Br)c1Br.
What is the InChIKey of 3,4-dibromopyridine-2-sulfonyl chloride?
The InChIKey is QTXKZSFQBSRPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2ClNO2S/c6-3-1-2-9-5(4(3)7)12(8,10)11/h1-2H.
What are the key properties of 3,4-dibromopyridine-2-sulfonyl chloride?
3,4-dibromopyridine-2-sulfonyl chloride has a molecular weight of 335.40 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromopyridine-2-sulfonyl chloride is sourced from PubChem (CID 131008415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).