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

C24H17ClF3N5O2S — CID 67966891

IUPACN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1cccc(C(F)(F)F)c1)c1nc2ccccn2c1Cl
InChIInChI=1S/C24H17ClF3N5O2S/c25-22-23(30-21-7-1-2-13-31(21)22)33(16-17-5-3-6-18(15-17)24(26,27)28)36(34,35)20-10-8-19(9-11-20)32-14-4-12-29-32/h1-15H,16H2
InChIKeyDKIXSAPFTXVQEZ-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-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 67966891) 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-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID67966891
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-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1cccc(C(F)(F)F)c1)c1nc2ccccn2c1Cl
InChIInChI=1S/C24H17ClF3N5O2S/c25-22-23(30-21-7-1-2-13-31(21)22)33(16-17-5-3-6-18(15-17)24(26,27)28)36(34,35)20-10-8-19(9-11-20)32-14-4-12-29-32/h1-15H,16H2
InChIKeyDKIXSAPFTXVQEZ-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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Related Compounds

N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 67966872
N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide
CID 57377844
4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889
N-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 141280135
N-(3-ethyl-5-methylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 57377627
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 52634275
1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
CID 2803725
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
(2R)-2-[benzenesulfonyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 125045170
4-chloro-N-(2-pyridin-2-ylethyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide;hydrochloride
CID 134105796
4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787907
N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372312

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 67966891) is N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1cccc(C(F)(F)F)c1)c1nc2ccccn2c1Cl.
What is the InChIKey of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is DKIXSAPFTXVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF3N5O2S/c25-22-23(30-21-7-1-2-13-31(21)22)33(16-17-5-3-6-18(15-17)24(26,27)28)36(34,35)20-10-8-19(9-11-20)32-14-4-12-29-32/h1-15H,16H2.
What are the key properties of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(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-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 67966891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).