2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide

C19H14Cl2FN3O2S2 — CID 90547700

IUPAC2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2cccc(Cl)c2Cl)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H14Cl2FN3O2S2/c1-11-16(9-23-29(26,27)17-4-2-3-14(20)18(17)21)28-19-24-15(10-25(11)19)12-5-7-13(22)8-6-12/h2-8,10,23H,9H2,1H3
InChIKeyBYYSGZMTXNGVKC-UHFFFAOYSA-N
MW470.38 g/mol
LogP5.30
Rot. Bonds5

About 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide

2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide (PubChem CID 90547700) has the molecular formula C19H14Cl2FN3O2S2 and a molecular weight of 470.38 g/mol. Its IUPAC name is 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide
PubChem CID90547700
Molecular FormulaC19H14Cl2FN3O2S2
Molecular Weight470.38 g/mol
Exact Mass468.99
IUPAC Name2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide
SMILESCc1c(CNS(=O)(=O)c2cccc(Cl)c2Cl)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H14Cl2FN3O2S2/c1-11-16(9-23-29(26,27)17-4-2-3-14(20)18(17)21)28-19-24-15(10-25(11)19)12-5-7-13(22)8-6-12/h2-8,10,23H,9H2,1H3
InChIKeyBYYSGZMTXNGVKC-UHFFFAOYSA-N
XLogP5.30
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide (CID 90547700) is 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide is Cc1c(CNS(=O)(=O)c2cccc(Cl)c2Cl)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is BYYSGZMTXNGVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FN3O2S2/c1-11-16(9-23-29(26,27)17-4-2-3-14(20)18(17)21)28-19-24-15(10-25(11)19)12-5-7-13(22)8-6-12/h2-8,10,23H,9H2,1H3.
What are the key properties of 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide?
2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 470.38 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90547700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).