N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

C21H14Cl2F3N3O3S — CID 57378169

IUPACN-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccc(Cl)cn2c1Cl
InChIInChI=1S/C21H14Cl2F3N3O3S/c22-15-8-11-18-27-20(19(23)28(18)13-15)29(33(30,31)17-4-2-1-3-5-17)12-14-6-9-16(10-7-14)32-21(24,25)26/h1-11,13H,12H2
InChIKeyCDBSTBQGWHNNNN-UHFFFAOYSA-N
MW516.33 g/mol
LogP5.94
Rot. Bonds6

About N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide

N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57378169) has the molecular formula C21H14Cl2F3N3O3S and a molecular weight of 516.33 g/mol. Its IUPAC name is N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57378169
Molecular FormulaC21H14Cl2F3N3O3S
Molecular Weight516.33 g/mol
Exact Mass515.01
IUPAC NameN-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccc(Cl)cn2c1Cl
InChIInChI=1S/C21H14Cl2F3N3O3S/c22-15-8-11-18-27-20(19(23)28(18)13-15)29(33(30,31)17-4-2-1-3-5-17)12-14-6-9-16(10-7-14)32-21(24,25)26/h1-11,13H,12H2
InChIKeyCDBSTBQGWHNNNN-UHFFFAOYSA-N
XLogP5.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.33
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57378169) is N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccc(Cl)cn2c1Cl.
What is the InChIKey of N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is CDBSTBQGWHNNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F3N3O3S/c22-15-8-11-18-27-20(19(23)28(18)13-15)29(33(30,31)17-4-2-1-3-5-17)12-14-6-9-16(10-7-14)32-21(24,25)26/h1-11,13H,12H2.
What are the key properties of N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 516.33 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloroimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57378169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).