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

C21H15BrF3N3O3S — CID 57378168

IUPACN-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Br
InChIInChI=1S/C21H15BrF3N3O3S/c22-19-20(26-18-8-4-5-13-27(18)19)28(32(29,30)17-6-2-1-3-7-17)14-15-9-11-16(12-10-15)31-21(23,24)25/h1-13H,14H2
InChIKeyJBZHBXYVKXWAOQ-UHFFFAOYSA-N
MW526.33 g/mol
LogP5.39
Rot. Bonds6

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

N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57378168) has the molecular formula C21H15BrF3N3O3S and a molecular weight of 526.33 g/mol. Its IUPAC name is N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57378168
Molecular FormulaC21H15BrF3N3O3S
Molecular Weight526.33 g/mol
Exact Mass525.00
IUPAC NameN-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Br
InChIInChI=1S/C21H15BrF3N3O3S/c22-19-20(26-18-8-4-5-13-27(18)19)28(32(29,30)17-6-2-1-3-7-17)14-15-9-11-16(12-10-15)31-21(23,24)25/h1-13H,14H2
InChIKeyJBZHBXYVKXWAOQ-UHFFFAOYSA-N
XLogP5.39
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.33
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57378168) is N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Br.
What is the InChIKey of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is JBZHBXYVKXWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrF3N3O3S/c22-19-20(26-18-8-4-5-13-27(18)19)28(32(29,30)17-6-2-1-3-7-17)14-15-9-11-16(12-10-15)31-21(23,24)25/h1-13H,14H2.
What are the key properties of N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 526.33 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57378168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).