N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide

C17H13FN6O2S — CID 89464440

IUPACN-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESNc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)cnc12
InChIInChI=1S/C17H13FN6O2S/c18-12-3-1-2-4-14(12)27(25,26)24-11-7-5-10(6-8-11)13-9-20-15-16(19)22-23-17(15)21-13/h1-9,24H,(H3,19,21,22,23)
InChIKeySTCYFWLNHSJIPQ-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.54
Rot. Bonds4

About N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide

N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide (PubChem CID 89464440) has the molecular formula C17H13FN6O2S and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide
PubChem CID89464440
Molecular FormulaC17H13FN6O2S
Molecular Weight384.40 g/mol
Exact Mass384.08
IUPAC NameN-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide
SMILESNc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)cnc12
InChIInChI=1S/C17H13FN6O2S/c18-12-3-1-2-4-14(12)27(25,26)24-11-7-5-10(6-8-11)13-9-20-15-16(19)22-23-17(15)21-13/h1-9,24H,(H3,19,21,22,23)
InChIKeySTCYFWLNHSJIPQ-UHFFFAOYSA-N
XLogP2.54
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Sgk1-IN-1
CID 71506845
3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 21956341
3-{[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino}benzene-1-sulfonamide
CID 25138049
Sgk1-IN-2
CID 71537261
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936958
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937066
N-tert-butyl-3-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 57401173
N-(2-Chloro-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 141461656
N-[2-chloro-5-(3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461667
N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461669
3-({4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 25138050
Imidazo[1,2-b]pyridazine deriv. 2a
CID 6539037

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide (CID 89464440) is N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide is Nc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)cnc12.
What is the InChIKey of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide?
The InChIKey is STCYFWLNHSJIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O2S/c18-12-3-1-2-4-14(12)27(25,26)24-11-7-5-10(6-8-11)13-9-20-15-16(19)22-23-17(15)21-13/h1-9,24H,(H3,19,21,22,23).
What are the key properties of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide?
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide has a molecular weight of 384.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 89464440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).