6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine

C14H11F3N2O2S — CID 121191252

IUPAC6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1Cc2cccnc2C1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)11-3-5-12(6-4-11)22(20,21)19-8-10-2-1-7-18-13(10)9-19/h1-7H,8-9H2
InChIKeyGFTQGEDHLGPSRA-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.80
Rot. Bonds2

About 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine

6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 121191252) has the molecular formula C14H11F3N2O2S and a molecular weight of 328.32 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID121191252
Molecular FormulaC14H11F3N2O2S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC Name6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N1Cc2cccnc2C1
InChIInChI=1S/C14H11F3N2O2S/c15-14(16,17)11-3-5-12(6-4-11)22(20,21)19-8-10-2-1-7-18-13(10)9-19/h1-7H,8-9H2
InChIKeyGFTQGEDHLGPSRA-UHFFFAOYSA-N
XLogP2.80
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide
CID 121191276
6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191240
(2R,6R)-8-[4-(trifluoromethyl)phenyl]sulfonyl-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene
CID 67167560
(2S,6S)-8-[4-(trifluoromethyl)phenyl]sulfonyl-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene
CID 67167562
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 167855801
6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191232
1-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]ethanone
CID 121191228
6-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzazepine
CID 122218585
N,N-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridine-6-sulfonamide
CID 121184546
(3-methyl-2-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 44611961
2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
CID 134863771

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine (CID 121191252) is 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine is O=S(=O)(c1ccc(C(F)(F)F)cc1)N1Cc2cccnc2C1.
What is the InChIKey of 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is GFTQGEDHLGPSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2S/c15-14(16,17)11-3-5-12(6-4-11)22(20,21)19-8-10-2-1-7-18-13(10)9-19/h1-7H,8-9H2.
What are the key properties of 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 328.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 121191252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).