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

C24H17ClF3N5O3S — CID 57377740

IUPACN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Cl
InChIInChI=1S/C24H17ClF3N5O3S/c25-22-23(30-21-4-1-2-14-31(21)22)33(16-17-5-9-19(10-6-17)36-24(26,27)28)37(34,35)20-11-7-18(8-12-20)32-15-3-13-29-32/h1-15H,16H2
InChIKeyWOWLYEXRYJEWFM-UHFFFAOYSA-N
MW547.95 g/mol
LogP5.47
Rot. Bonds7

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

N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 57377740) has the molecular formula C24H17ClF3N5O3S and a molecular weight of 547.95 g/mol. Its IUPAC name is N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID57377740
Molecular FormulaC24H17ClF3N5O3S
Molecular Weight547.95 g/mol
Exact Mass547.07
IUPAC NameN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Cl
InChIInChI=1S/C24H17ClF3N5O3S/c25-22-23(30-21-4-1-2-14-31(21)22)33(16-17-5-9-19(10-6-17)36-24(26,27)28)37(34,35)20-11-7-18(8-12-20)32-15-3-13-29-32/h1-15H,16H2
InChIKeyWOWLYEXRYJEWFM-UHFFFAOYSA-N
XLogP5.47
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.95
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 57377740) is N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccc(OC(F)(F)F)cc1)c1nc2ccccn2c1Cl.
What is the InChIKey of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is WOWLYEXRYJEWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O3S/c25-22-23(30-21-4-1-2-14-31(21)22)33(16-17-5-9-19(10-6-17)36-24(26,27)28)37(34,35)20-11-7-18(8-12-20)32-15-3-13-29-32/h1-15H,16H2.
What are the key properties of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide?
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 547.95 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57377740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).