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

C18H13F2N5O2S — CID 118721273

IUPAC2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
SMILESCc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)cnc12
InChIInChI=1S/C18H13F2N5O2S/c1-10-17-18(24-23-10)22-15(9-21-17)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-14(16)20/h2-9,25H,1H3,(H,22,23,24)
InChIKeySLFPVIVLDVLCRB-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.41
Rot. Bonds4

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

2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 118721273) has the molecular formula C18H13F2N5O2S and a molecular weight of 401.40 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
PubChem CID118721273
Molecular FormulaC18H13F2N5O2S
Molecular Weight401.40 g/mol
Exact Mass401.08
IUPAC Name2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
SMILESCc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)cnc12
InChIInChI=1S/C18H13F2N5O2S/c1-10-17-18(24-23-10)22-15(9-21-17)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-14(16)20/h2-9,25H,1H3,(H,22,23,24)
InChIKeySLFPVIVLDVLCRB-UHFFFAOYSA-N
XLogP3.41
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide (CID 118721273) is 2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide is Cc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4cc(F)ccc4F)cc3)cnc12.
What is the InChIKey of 2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is SLFPVIVLDVLCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O2S/c1-10-17-18(24-23-10)22-15(9-21-17)11-2-5-13(6-3-11)25-28(26,27)16-8-12(19)4-7-14(16)20/h2-9,25H,1H3,(H,22,23,24).
What are the key properties of 2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 401.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 118721273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).