6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane

C21H24Br2ClN5O5S2 — CID 145297522

IUPAC6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane
SMILESCC.CN(C1CCOC1)S(=O)(=O)c1cnc2ccc(Br)cn12.O=S(=O)(Cl)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O3S.C7H4BrClN2O2S.C2H6/c1-15(10-4-5-19-8-10)20(17,18)12-6-14-11-3-2-9(13)7-16(11)12;8-5-1-2-6-10-3-7(11(6)4-5)14(9,12)13;1-2/h2-3,6-7,10H,4-5,8H2,1H3;1-4H;1-2H3
InChIKeyTURVJUMNQCCPLF-UHFFFAOYSA-N
MW685.85 g/mol
LogP4.56
Rot. Bonds4

About 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane

6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane (PubChem CID 145297522) has the molecular formula C21H24Br2ClN5O5S2 and a molecular weight of 685.85 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane.

Molecular Properties

Compound Name6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane
PubChem CID145297522
Molecular FormulaC21H24Br2ClN5O5S2
Molecular Weight685.85 g/mol
Exact Mass682.93
IUPAC Name6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane
SMILESCC.CN(C1CCOC1)S(=O)(=O)c1cnc2ccc(Br)cn12.O=S(=O)(Cl)c1cnc2ccc(Br)cn12
InChIInChI=1S/C12H14BrN3O3S.C7H4BrClN2O2S.C2H6/c1-15(10-4-5-19-8-10)20(17,18)12-6-14-11-3-2-9(13)7-16(11)12;8-5-1-2-6-10-3-7(11(6)4-5)14(9,12)13;1-2/h2-3,6-7,10H,4-5,8H2,1H3;1-4H;1-2H3
InChIKeyTURVJUMNQCCPLF-UHFFFAOYSA-N
XLogP4.56
TPSA115.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500685.85
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-3-[(2R)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
CID 129053934
6-Bromo-3-(2-methylpyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine
CID 129053936
6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053938
6-bromo-3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
CID 129053946
6-bromo-3-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
CID 129053954
6-bromo-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053955
6-Bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylimidazo[1,2-a]pyridine
CID 129053957
6-bromo-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053958
6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-8-sulfonamide
CID 129053966
6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-2-sulfonamide
CID 129053967
6-bromo-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 129053986
6-bromo-3-[(3S)-3-methoxypyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridine
CID 129053989

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane?
The IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane (CID 145297522) is 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane.
What is the SMILES notation for 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane?
The canonical SMILES for 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane is CC.CN(C1CCOC1)S(=O)(=O)c1cnc2ccc(Br)cn12.O=S(=O)(Cl)c1cnc2ccc(Br)cn12.
What is the InChIKey of 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane?
The InChIKey is TURVJUMNQCCPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3S.C7H4BrClN2O2S.C2H6/c1-15(10-4-5-19-8-10)20(17,18)12-6-14-11-3-2-9(13)7-16(11)12;8-5-1-2-6-10-3-7(11(6)4-5)14(9,12)13;1-2/h2-3,6-7,10H,4-5,8H2,1H3;1-4H;1-2H3.
What are the key properties of 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane?
6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane has a molecular weight of 685.85 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[1,2-a]pyridine-3-sulfonyl chloride;6-bromo-N-methyl-N-(oxolan-3-yl)imidazo[1,2-a]pyridine-3-sulfonamide;ethane is sourced from PubChem (CID 145297522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).