8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C17H12Cl2F3N3O4S — CID 90900083

IUPAC8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)N(C)C(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1
InChIInChI=1S/C17H12Cl2F3N3O4S/c1-24(30(27,28)14-6-10(29-2)3-4-11(14)18)16(26)13-8-25-7-9(17(20,21)22)5-12(19)15(25)23-13/h3-8H,1-2H3
InChIKeySPUUQNRUDHFYFS-UHFFFAOYSA-N
MW482.27 g/mol
LogP4.13
Rot. Bonds4

About 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 90900083) has the molecular formula C17H12Cl2F3N3O4S and a molecular weight of 482.27 g/mol. Its IUPAC name is 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID90900083
Molecular FormulaC17H12Cl2F3N3O4S
Molecular Weight482.27 g/mol
Exact Mass480.99
IUPAC Name8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)N(C)C(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1
InChIInChI=1S/C17H12Cl2F3N3O4S/c1-24(30(27,28)14-6-10(29-2)3-4-11(14)18)16(26)13-8-25-7-9(17(20,21)22)5-12(19)15(25)23-13/h3-8H,1-2H3
InChIKeySPUUQNRUDHFYFS-UHFFFAOYSA-N
XLogP4.13
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.27
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208477
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 2725939
8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208487
N'-(4-bromophenyl)sulfonyl-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208474
8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride
CID 162331453
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile
CID 59377305
8-chloro-N'-hydroxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboximidamide;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile;8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 172966841
[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110208453
ethyl 3-(N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-methoxyanilino)propanoate
CID 5013124
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 7870670
N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 2796284
2-chloro-N-(cyanomethyl)-5-methoxy-N-methylbenzenesulfonamide
CID 75505544

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 90900083) is 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is COc1ccc(Cl)c(S(=O)(=O)N(C)C(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1.
What is the InChIKey of 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is SPUUQNRUDHFYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N3O4S/c1-24(30(27,28)14-6-10(29-2)3-4-11(14)18)16(26)13-8-25-7-9(17(20,21)22)5-12(19)15(25)23-13/h3-8H,1-2H3.
What are the key properties of 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 482.27 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(2-chloro-5-methoxyphenyl)sulfonyl-N-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 90900083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).