N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide

C15H10Cl2N6O2S2 — CID 71538112

IUPACN-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESNc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)cnc12
InChIInChI=1S/C15H10Cl2N6O2S2/c16-11-5-10(13(17)26-11)27(24,25)23-8-3-1-7(2-4-8)9-6-19-12-14(18)21-22-15(12)20-9/h1-6,23H,(H3,18,20,21,22)
InChIKeyILVJCDROFKYCPX-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.77
Rot. Bonds4

About N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide

N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 71538112) has the molecular formula C15H10Cl2N6O2S2 and a molecular weight of 441.33 g/mol. Its IUPAC name is N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
PubChem CID71538112
Molecular FormulaC15H10Cl2N6O2S2
Molecular Weight441.33 g/mol
Exact Mass439.97
IUPAC NameN-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide
SMILESNc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)cnc12
InChIInChI=1S/C15H10Cl2N6O2S2/c16-11-5-10(13(17)26-11)27(24,25)23-8-3-1-7(2-4-8)9-6-19-12-14(18)21-22-15(12)20-9/h1-6,23H,(H3,18,20,21,22)
InChIKeyILVJCDROFKYCPX-UHFFFAOYSA-N
XLogP3.77
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide with MolForge

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Related Compounds

5-chloro-2-fluoro-N-[4-(3-methyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]benzenesulfonamide
CID 71537544
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
CID 43344174
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
2,5-dichloro-N-(5-iodo-2-pyridinyl)thiophene-3-sulfonamide
CID 65100563
2-cyano-N-[4-(3-ethyl-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-5-methylbenzenesulfonamide
CID 89464727
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
N-[4-(3-amino-2H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl]-5-chloro-2-cyanobenzenesulfonamide
CID 86268374
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
2,5-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 113258813
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide (CID 71538112) is N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide is Nc1[nH]nc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)sc4Cl)cc3)cnc12.
What is the InChIKey of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is ILVJCDROFKYCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N6O2S2/c16-11-5-10(13(17)26-11)27(24,25)23-8-3-1-7(2-4-8)9-6-19-12-14(18)21-22-15(12)20-9/h1-6,23H,(H3,18,20,21,22).
What are the key properties of N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide?
N-[4-(3-amino-2H-pyrazolo[3,4-b]pyrazin-6-yl)phenyl]-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 441.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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]-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 71538112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).