2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide

C19H16FN5O2S — CID 71537835

IUPAC2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(C)[nH]nc4n3)cc2)c1
InChIInChI=1S/C19H16FN5O2S/c1-11-3-8-15(20)17(9-11)28(26,27)25-14-6-4-13(5-7-14)16-10-21-18-12(2)23-24-19(18)22-16/h3-10,25H,1-2H3,(H,22,23,24)
InChIKeyDGQPIYWVZMLYAW-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.58
Rot. Bonds4

About 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide

2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 71537835) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
PubChem CID71537835
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(C)[nH]nc4n3)cc2)c1
InChIInChI=1S/C19H16FN5O2S/c1-11-3-8-15(20)17(9-11)28(26,27)25-14-6-4-13(5-7-14)16-10-21-18-12(2)23-24-19(18)22-16/h3-10,25H,1-2H3,(H,22,23,24)
InChIKeyDGQPIYWVZMLYAW-UHFFFAOYSA-N
XLogP3.58
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide (CID 71537835) is 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3cnc4c(C)[nH]nc4n3)cc2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is DGQPIYWVZMLYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-11-3-8-15(20)17(9-11)28(26,27)25-14-6-4-13(5-7-14)16-10-21-18-12(2)23-24-19(18)22-16/h3-10,25H,1-2H3,(H,22,23,24).
What are the key properties of 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide?
2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 397.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71537835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).