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

C24H17ClF3N5O2S — CID 57377843

IUPACN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccc(C(F)(F)F)cc1)c1nc2ccccn2c1Cl
InChIInChI=1S/C24H17ClF3N5O2S/c25-22-23(30-21-4-1-2-14-31(21)22)33(16-17-5-7-18(8-6-17)24(26,27)28)36(34,35)20-11-9-19(10-12-20)32-15-3-13-29-32/h1-15H,16H2
InChIKeyFDFPNYMTLBLPHL-UHFFFAOYSA-N
MW531.95 g/mol
LogP5.59
Rot. Bonds6

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

N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 57377843) has the molecular formula C24H17ClF3N5O2S and a molecular weight of 531.95 g/mol. Its IUPAC name is N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID57377843
Molecular FormulaC24H17ClF3N5O2S
Molecular Weight531.95 g/mol
Exact Mass531.07
IUPAC NameN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccc(C(F)(F)F)cc1)c1nc2ccccn2c1Cl
InChIInChI=1S/C24H17ClF3N5O2S/c25-22-23(30-21-4-1-2-14-31(21)22)33(16-17-5-7-18(8-6-17)24(26,27)28)36(34,35)20-11-9-19(10-12-20)32-15-3-13-29-32/h1-15H,16H2
InChIKeyFDFPNYMTLBLPHL-UHFFFAOYSA-N
XLogP5.59
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.95
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 57377843) is N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccc(C(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-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is FDFPNYMTLBLPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O2S/c25-22-23(30-21-4-1-2-14-31(21)22)33(16-17-5-7-18(8-6-17)24(26,27)28)36(34,35)20-11-9-19(10-12-20)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-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 531.95 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 57377843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).