[6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane

C23H25ClFN3O2S2 — CID 178060624

IUPAC[6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane
SMILESCC.CC.CS(=O)(=O)c1nc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc2n1SF
InChIInChI=1S/C19H13ClFN3O2S2.2C2H6/c1-28(25,26)19-23-18-16(24(19)27-21)11-15(20)17(22-18)14-9-7-13(8-10-14)12-5-3-2-4-6-12;2*1-2/h2-11H,1H3;2*1-2H3
InChIKeyZTEMTSUWKWRCCZ-UHFFFAOYSA-N
MW494.06 g/mol
LogP7.26
Rot. Bonds4

About [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane

[6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane (PubChem CID 178060624) has the molecular formula C23H25ClFN3O2S2 and a molecular weight of 494.06 g/mol. Its IUPAC name is [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane.

Molecular Properties

Compound Name[6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane
PubChem CID178060624
Molecular FormulaC23H25ClFN3O2S2
Molecular Weight494.06 g/mol
Exact Mass493.11
IUPAC Name[6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane
SMILESCC.CC.CS(=O)(=O)c1nc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc2n1SF
InChIInChI=1S/C19H13ClFN3O2S2.2C2H6/c1-28(25,26)19-23-18-16(24(19)27-21)11-15(20)17(22-18)14-9-7-13(8-10-14)12-5-3-2-4-6-12;2*1-2/h2-11H,1H3;2*1-2H3
InChIKeyZTEMTSUWKWRCCZ-UHFFFAOYSA-N
XLogP7.26
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.06
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane with MolForge

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Related Compounds

(2-chloro-6-fluoro-5-phenylimidazo[4,5-b]pyridin-1-yl) thiohypofluorite
CID 176678737
6-chloro-5-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-b]pyridin-2-amine
CID 90041803
2-[6-chloro-1-(hydroxymethyl)-5-(4-phenylphenyl)pyrrolo[3,2-b]pyridin-2-yl]sulfanylacetic acid
CID 118623022
5-bromo-4-chloro-2-(methylsulfonylmethyl)-6-phenylpyrimidine
CID 66315174
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
CID 57061474
2,2,2-trifluoro-1-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 12617475
1-methyl-2-methylsulfonyl-5-phenylimidazole-4-carboxylic acid
CID 117224860
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
CID 10041271
1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid
CID 171922177
1,3-difluoro-2-methylsulfonyl-5-phenylbenzene
CID 123960607
7-chloro-1-methyl-3-phenylquinoxalin-2-one
CID 163364599

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane?
The IUPAC name of [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane (CID 178060624) is [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane.
What is the SMILES notation for [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane?
The canonical SMILES for [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane is CC.CC.CS(=O)(=O)c1nc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc2n1SF.
What is the InChIKey of [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane?
The InChIKey is ZTEMTSUWKWRCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O2S2.2C2H6/c1-28(25,26)19-23-18-16(24(19)27-21)11-15(20)17(22-18)14-9-7-13(8-10-14)12-5-3-2-4-6-12;2*1-2/h2-11H,1H3;2*1-2H3.
What are the key properties of [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane?
[6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane has a molecular weight of 494.06 g/mol, XLogP of 7.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-methylsulfonyl-5-(4-phenylphenyl)imidazo[4,5-b]pyridin-1-yl] thiohypofluorite;ethane is sourced from PubChem (CID 178060624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).