5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine

C11H10BrNO2S2 — CID 167944484

IUPAC5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine
SMILESCc1ccc(S(=O)(=O)Cc2ccc(Br)cn2)s1
InChIInChI=1S/C11H10BrNO2S2/c1-8-2-5-11(16-8)17(14,15)7-10-4-3-9(12)6-13-10/h2-6H,7H2,1H3
InChIKeyBOGGUVMYSFQZCZ-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.19
Rot. Bonds3

About 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine

5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine (PubChem CID 167944484) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine
PubChem CID167944484
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC Name5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine
SMILESCc1ccc(S(=O)(=O)Cc2ccc(Br)cn2)s1
InChIInChI=1S/C11H10BrNO2S2/c1-8-2-5-11(16-8)17(14,15)7-10-4-3-9(12)6-13-10/h2-6H,7H2,1H3
InChIKeyBOGGUVMYSFQZCZ-UHFFFAOYSA-N
XLogP3.19
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine?
The IUPAC name of 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine (CID 167944484) is 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine.
What is the SMILES notation for 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine?
The canonical SMILES for 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine is Cc1ccc(S(=O)(=O)Cc2ccc(Br)cn2)s1.
What is the InChIKey of 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine?
The InChIKey is BOGGUVMYSFQZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c1-8-2-5-11(16-8)17(14,15)7-10-4-3-9(12)6-13-10/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine?
5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine has a molecular weight of 332.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-methylthiophen-2-yl)sulfonylmethyl]pyridine is sourced from PubChem (CID 167944484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).