6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine

C13H10ClFN2O2S — CID 121191240

IUPAC6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1Cc2cccnc2C1
InChIInChI=1S/C13H10ClFN2O2S/c14-11-6-10(3-4-12(11)15)20(18,19)17-7-9-2-1-5-16-13(9)8-17/h1-6H,7-8H2
InChIKeySRTBUNDLCQCKFI-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.58
Rot. Bonds2

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

6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 121191240) has the molecular formula C13H10ClFN2O2S and a molecular weight of 312.75 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID121191240
Molecular FormulaC13H10ClFN2O2S
Molecular Weight312.75 g/mol
Exact Mass312.01
IUPAC Name6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1Cc2cccnc2C1
InChIInChI=1S/C13H10ClFN2O2S/c14-11-6-10(3-4-12(11)15)20(18,19)17-7-9-2-1-5-16-13(9)8-17/h1-6H,7-8H2
InChIKeySRTBUNDLCQCKFI-UHFFFAOYSA-N
XLogP2.58
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.58
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
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191252
6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191232
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
1-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]ethanone
CID 121191228
(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
7-(3-chloro-4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153673
1-[2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 39934758
2-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178856
6-(3-chloro-4-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585468
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine (CID 121191240) is 6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine is O=S(=O)(c1ccc(F)c(Cl)c1)N1Cc2cccnc2C1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is SRTBUNDLCQCKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2S/c14-11-6-10(3-4-12(11)15)20(18,19)17-7-9-2-1-5-16-13(9)8-17/h1-6H,7-8H2.
What are the key properties of 6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 312.75 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 121191240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).