8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride

C14H9Cl2F3N4O3S — CID 162331453

IUPAC8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NS(=O)(=O)c1cccnc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C14H8ClF3N4O3S.ClH/c15-10-4-8(14(16,17)18)6-22-7-11(20-12(10)22)13(23)21-26(24,25)9-2-1-3-19-5-9;/h1-7H,(H,21,23);1H
InChIKeyNZZVUCHSURFNTA-UHFFFAOYSA-N
MW441.22 g/mol
LogP2.94
Rot. Bonds3

About 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride

8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride (PubChem CID 162331453) has the molecular formula C14H9Cl2F3N4O3S and a molecular weight of 441.22 g/mol. Its IUPAC name is 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride
PubChem CID162331453
Molecular FormulaC14H9Cl2F3N4O3S
Molecular Weight441.22 g/mol
Exact Mass439.97
IUPAC Name8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NS(=O)(=O)c1cccnc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C14H8ClF3N4O3S.ClH/c15-10-4-8(14(16,17)18)6-22-7-11(20-12(10)22)13(23)21-26(24,25)9-2-1-3-19-5-9;/h1-7H,(H,21,23);1H
InChIKeyNZZVUCHSURFNTA-UHFFFAOYSA-N
XLogP2.94
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.22
LogP ≤ 52.94
H-Bond Donors ≤ 51
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-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
N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 2796284
N-(benzenesulfonyl)-6-bromo-8-chloroimidazo[1,2-a]pyrazine-2-carboxamide
CID 87986810
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22485067
2-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-methylimidazole-4-carboxamide
CID 152842079
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
N-[3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-4-methylbenzamide
CID 110208508
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798525
6,8-dichloro-N-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 56689841
6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 135194127

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride (CID 162331453) is 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride is Cl.O=C(NS(=O)(=O)c1cccnc1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.
What is the InChIKey of 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride?
The InChIKey is NZZVUCHSURFNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O3S.ClH/c15-10-4-8(14(16,17)18)6-22-7-11(20-12(10)22)13(23)21-26(24,25)9-2-1-3-19-5-9;/h1-7H,(H,21,23);1H.
What are the key properties of 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride?
8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride has a molecular weight of 441.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 162331453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).