2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide

C19H15FN4O2S — CID 90313315

IUPAC2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1
InChIInChI=1S/C19H15FN4O2S/c1-21-27(25,26)18-5-3-2-4-13(18)12-6-7-14(15(20)10-12)17-11-23-19-16(24-17)8-9-22-19/h2-11,21H,1H3,(H,22,23)
InChIKeyIDFHOZXTYLJPIG-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.34
Rot. Bonds4

About 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide

2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 90313315) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide
PubChem CID90313315
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1
InChIInChI=1S/C19H15FN4O2S/c1-21-27(25,26)18-5-3-2-4-13(18)12-6-7-14(15(20)10-12)17-11-23-19-16(24-17)8-9-22-19/h2-11,21H,1H3,(H,22,23)
InChIKeyIDFHOZXTYLJPIG-UHFFFAOYSA-N
XLogP3.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide (CID 90313315) is 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is IDFHOZXTYLJPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-21-27(25,26)18-5-3-2-4-13(18)12-6-7-14(15(20)10-12)17-11-23-19-16(24-17)8-9-22-19/h2-11,21H,1H3,(H,22,23).
What are the key properties of 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide?
2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 382.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 90313315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).