4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide

C16H17F4N3O2S — CID 129005386

IUPAC4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)ccc1F
InChIInChI=1S/C16H17F4N3O2S/c1-10-6-12(3-4-13(10)17)26(24,25)21-7-11-2-5-15-22-14(16(18,19)20)9-23(15)8-11/h3-4,6,9,11,21H,2,5,7-8H2,1H3
InChIKeyFCMXBZWUMTURAD-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.89
Rot. Bonds4

About 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide

4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide (PubChem CID 129005386) has the molecular formula C16H17F4N3O2S and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide
PubChem CID129005386
Molecular FormulaC16H17F4N3O2S
Molecular Weight391.39 g/mol
Exact Mass391.10
IUPAC Name4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)ccc1F
InChIInChI=1S/C16H17F4N3O2S/c1-10-6-12(3-4-13(10)17)26(24,25)21-7-11-2-5-15-22-14(16(18,19)20)9-23(15)8-11/h3-4,6,9,11,21H,2,5,7-8H2,1H3
InChIKeyFCMXBZWUMTURAD-UHFFFAOYSA-N
XLogP2.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]imidazole-4-sulfonamide
CID 129341366
2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide
CID 129335325
3-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]thiophene-2-sulfonamide
CID 129329774
1-(1-cyanocyclopropyl)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide
CID 129336307
1-(1-cyanocyclopropyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]methanesulfonamide
CID 129002350
N-[(1-acetylpiperidin-4-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 110736227
N-[2-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]ethyl]ethanesulfonamide
CID 128966881
4-fluoro-3-methyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621908
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1H-pyrrole-3-carboxamide
CID 129329247
2,4-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-5-carboxamide
CID 129329094
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129002408

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide (CID 129005386) is 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide?
The InChIKey is FCMXBZWUMTURAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4N3O2S/c1-10-6-12(3-4-13(10)17)26(24,25)21-7-11-2-5-15-22-14(16(18,19)20)9-23(15)8-11/h3-4,6,9,11,21H,2,5,7-8H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide has a molecular weight of 391.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 129005386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).