3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C22H17ClF3N3O2S — CID 127029994

IUPAC3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H17ClF3N3O2S/c1-15-11-21-27-9-10-28(21)13-20(15)16-5-7-18(8-6-16)29(14-22(24,25)26)32(30,31)19-4-2-3-17(23)12-19/h2-13H,14H2,1H3
InChIKeyZPTYKVPZGGVRFW-UHFFFAOYSA-N
MW479.91 g/mol
LogP5.72
Rot. Bonds5

About 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 127029994) has the molecular formula C22H17ClF3N3O2S and a molecular weight of 479.91 g/mol. Its IUPAC name is 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID127029994
Molecular FormulaC22H17ClF3N3O2S
Molecular Weight479.91 g/mol
Exact Mass479.07
IUPAC Name3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H17ClF3N3O2S/c1-15-11-21-27-9-10-28(21)13-20(15)16-5-7-18(8-6-16)29(14-22(24,25)26)32(30,31)19-4-2-3-17(23)12-19/h2-13H,14H2,1H3
InChIKeyZPTYKVPZGGVRFW-UHFFFAOYSA-N
XLogP5.72
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.91
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
CID 1157247
4-[2-(3-Chloro-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9801204
4-[2-(4-chlorophenyl)-4-(trifluoromethyl)-1H-imidazol-1-yl]benzenesulfonamide
CID 10644759
4-[2-(3-Chloro-5-methyl-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 22643554
n-(5-(2-Aminoimidazo[1,2-a]pyridin-6-yl)-2-chloropyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44125376
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 44125377
2-Isopropyl-3-(3'-(methylsulfonyl)biphenyl-4-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 44137094
2-Ethyl-3-(3-(3-(methylsulfonyl)benzyl)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 46226434
3-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 59177239
2-(2-Chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole
CID 59251295
(E)-1-(4-(3-((1H-imidazol-1-yl)methyl)-5-chlorostyryl)phenyl)-4-(pyridin-3-ylsulfonyl)piperazine
CID 122439276
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzenesulfonamide
CID 695162

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 127029994) is 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1cc2nccn2cc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is ZPTYKVPZGGVRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N3O2S/c1-15-11-21-27-9-10-28(21)13-20(15)16-5-7-18(8-6-16)29(14-22(24,25)26)32(30,31)19-4-2-3-17(23)12-19/h2-13H,14H2,1H3.
What are the key properties of 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 479.91 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 127029994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).