3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

C19H15ClF2N2O2S — CID 177345436

IUPAC3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1cccc(F)c1)n1c2c(c(Cl)c1-c1ccccc1F)CNCC2
InChIInChI=1S/C19H15ClF2N2O2S/c20-18-15-11-23-9-8-17(15)24(19(18)14-6-1-2-7-16(14)22)27(25,26)13-5-3-4-12(21)10-13/h1-7,10,23H,8-9,11H2
InChIKeyJHPJZLQRIMGMHI-UHFFFAOYSA-N
MW408.86 g/mol
LogP3.97
Rot. Bonds3

About 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 177345436) has the molecular formula C19H15ClF2N2O2S and a molecular weight of 408.86 g/mol. Its IUPAC name is 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID177345436
Molecular FormulaC19H15ClF2N2O2S
Molecular Weight408.86 g/mol
Exact Mass408.05
IUPAC Name3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESO=S(=O)(c1cccc(F)c1)n1c2c(c(Cl)c1-c1ccccc1F)CNCC2
InChIInChI=1S/C19H15ClF2N2O2S/c20-18-15-11-23-9-8-17(15)24(19(18)14-6-1-2-7-16(14)22)27(25,26)13-5-3-4-12(21)10-13/h1-7,10,23H,8-9,11H2
InChIKeyJHPJZLQRIMGMHI-UHFFFAOYSA-N
XLogP3.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 177345436) is 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is O=S(=O)(c1cccc(F)c1)n1c2c(c(Cl)c1-c1ccccc1F)CNCC2.
What is the InChIKey of 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is JHPJZLQRIMGMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF2N2O2S/c20-18-15-11-23-9-8-17(15)24(19(18)14-6-1-2-7-16(14)22)27(25,26)13-5-3-4-12(21)10-13/h1-7,10,23H,8-9,11H2.
What are the key properties of 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 408.86 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 177345436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).