2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride

C7H6BrCl2NO4S2 — CID 103583936

IUPAC2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCS(=O)(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C7H6BrCl2NO4S2/c8-5-3-6(9)7(11-4-5)16(12,13)1-2-17(10,14)15/h3-4H,1-2H2
InChIKeyBURIMQXPBXCRIG-UHFFFAOYSA-N
MW383.07 g/mol
LogP1.84
Rot. Bonds4

About 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride

2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride (PubChem CID 103583936) has the molecular formula C7H6BrCl2NO4S2 and a molecular weight of 383.07 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride
PubChem CID103583936
Molecular FormulaC7H6BrCl2NO4S2
Molecular Weight383.07 g/mol
Exact Mass380.83
IUPAC Name2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCS(=O)(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C7H6BrCl2NO4S2/c8-5-3-6(9)7(11-4-5)16(12,13)1-2-17(10,14)15/h3-4H,1-2H2
InChIKeyBURIMQXPBXCRIG-UHFFFAOYSA-N
XLogP1.84
TPSA81.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.07
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloropyrimidin-4-yl)sulfonylethanesulfonyl chloride
CID 105370366
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2-(3-methylpyrazin-2-yl)sulfonylethanesulfonyl chloride
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(5-bromo-3-chloro-2-pyridinyl) ethanesulfonate
CID 118080132
2-amino-5-bromopyridine-3-sulfonyl chloride
CID 53302026
2,5-dibromopyridine-3-sulfonyl chloride
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5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride
CID 114838140
3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 103582964
1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
CID 174823193
5-bromo-3-chloro-2-nitropyridine
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2-[5-bromo-2-(trifluoromethyl)phenyl]sulfonylethanesulfonyl chloride
CID 107289885

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride (CID 103583936) is 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride is O=S(=O)(Cl)CCS(=O)(=O)c1ncc(Br)cc1Cl.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride?
The InChIKey is BURIMQXPBXCRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2NO4S2/c8-5-3-6(9)7(11-4-5)16(12,13)1-2-17(10,14)15/h3-4H,1-2H2.
What are the key properties of 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride?
2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride has a molecular weight of 383.07 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-chloro-2-pyridinyl)sulfonyl]ethanesulfonyl chloride is sourced from PubChem (CID 103583936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).