6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine

C15H13BrN2O2S — CID 72696345

IUPAC6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(S(=O)(=O)Cc2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C15H13BrN2O2S/c1-11-2-5-14(6-3-11)21(19,20)10-13-9-18-8-12(16)4-7-15(18)17-13/h2-9H,10H2,1H3
InChIKeySEGJMOQNCICFGP-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.38
Rot. Bonds3

About 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine

6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine (PubChem CID 72696345) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
PubChem CID72696345
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(S(=O)(=O)Cc2cn3cc(Br)ccc3n2)cc1
InChIInChI=1S/C15H13BrN2O2S/c1-11-2-5-14(6-3-11)21(19,20)10-13-9-18-8-12(16)4-7-15(18)17-13/h2-9H,10H2,1H3
InChIKeySEGJMOQNCICFGP-UHFFFAOYSA-N
XLogP3.38
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine (CID 72696345) is 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine is Cc1ccc(S(=O)(=O)Cc2cn3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is SEGJMOQNCICFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-11-2-5-14(6-3-11)21(19,20)10-13-9-18-8-12(16)4-7-15(18)17-13/h2-9H,10H2,1H3.
What are the key properties of 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine?
6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 365.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 72696345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).