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

C24H20F3N3O3S — CID 57377845

IUPACN-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1C1CC1
InChIInChI=1S/C24H20F3N3O3S/c25-24(26,27)33-19-13-9-17(10-14-19)16-30(34(31,32)20-6-2-1-3-7-20)23-22(18-11-12-18)29-15-5-4-8-21(29)28-23/h1-10,13-15,18H,11-12,16H2
InChIKeyQJTBCKDQXGMDSZ-UHFFFAOYSA-N
MW487.50 g/mol
LogP5.51
Rot. Bonds7

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

N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57377845) has the molecular formula C24H20F3N3O3S and a molecular weight of 487.50 g/mol. Its IUPAC name is N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57377845
Molecular FormulaC24H20F3N3O3S
Molecular Weight487.50 g/mol
Exact Mass487.12
IUPAC NameN-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1C1CC1
InChIInChI=1S/C24H20F3N3O3S/c25-24(26,27)33-19-13-9-17(10-14-19)16-30(34(31,32)20-6-2-1-3-7-20)23-22(18-11-12-18)29-15-5-4-8-21(29)28-23/h1-10,13-15,18H,11-12,16H2
InChIKeyQJTBCKDQXGMDSZ-UHFFFAOYSA-N
XLogP5.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57377845) is N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1C1CC1.
What is the InChIKey of N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is QJTBCKDQXGMDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O3S/c25-24(26,27)33-19-13-9-17(10-14-19)16-30(34(31,32)20-6-2-1-3-7-20)23-22(18-11-12-18)29-15-5-4-8-21(29)28-23/h1-10,13-15,18H,11-12,16H2.
What are the key properties of N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 487.50 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57377845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).