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

C7H6BrCl2NO2S2 — CID 114838140

IUPAC2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCSc1ncc(Cl)cc1Br
InChIInChI=1S/C7H6BrCl2NO2S2/c8-6-3-5(9)4-11-7(6)14-1-2-15(10,12)13/h3-4H,1-2H2
InChIKeyOQONVKSBRPDOCF-UHFFFAOYSA-N
MW351.07 g/mol
LogP3.16
Rot. Bonds4

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

2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride (PubChem CID 114838140) has the molecular formula C7H6BrCl2NO2S2 and a molecular weight of 351.07 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride
PubChem CID114838140
Molecular FormulaC7H6BrCl2NO2S2
Molecular Weight351.07 g/mol
Exact Mass348.84
IUPAC Name2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCSc1ncc(Cl)cc1Br
InChIInChI=1S/C7H6BrCl2NO2S2/c8-6-3-5(9)4-11-7(6)14-1-2-15(10,12)13/h3-4H,1-2H2
InChIKeyOQONVKSBRPDOCF-UHFFFAOYSA-N
XLogP3.16
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.07
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride?
The IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride (CID 114838140) is 2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride is O=S(=O)(Cl)CCSc1ncc(Cl)cc1Br.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride?
The InChIKey is OQONVKSBRPDOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2NO2S2/c8-6-3-5(9)4-11-7(6)14-1-2-15(10,12)13/h3-4H,1-2H2.
What are the key properties of 2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride?
2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride has a molecular weight of 351.07 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-pyridinyl)sulfanyl]ethanesulfonyl chloride is sourced from PubChem (CID 114838140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).