2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide

C11H6Cl3N5O2S — CID 141318157

IUPAC2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2nccnc12)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl3N5O2S/c12-5-3-6(13)9(7(14)4-5)22(20,21)19-11-8-10(17-18-11)16-2-1-15-8/h1-4H,(H2,16,17,18,19)
InChIKeyVEYTYPDYFNGEBU-UHFFFAOYSA-N
MW378.63 g/mol
LogP3.11
Rot. Bonds3

About 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide

2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide (PubChem CID 141318157) has the molecular formula C11H6Cl3N5O2S and a molecular weight of 378.63 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide
PubChem CID141318157
Molecular FormulaC11H6Cl3N5O2S
Molecular Weight378.63 g/mol
Exact Mass376.93
IUPAC Name2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1n[nH]c2nccnc12)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H6Cl3N5O2S/c12-5-3-6(13)9(7(14)4-5)22(20,21)19-11-8-10(17-18-11)16-2-1-15-8/h1-4H,(H2,16,17,18,19)
InChIKeyVEYTYPDYFNGEBU-UHFFFAOYSA-N
XLogP3.11
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.63
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide (CID 141318157) is 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide is O=S(=O)(Nc1n[nH]c2nccnc12)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide?
The InChIKey is VEYTYPDYFNGEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N5O2S/c12-5-3-6(13)9(7(14)4-5)22(20,21)19-11-8-10(17-18-11)16-2-1-15-8/h1-4H,(H2,16,17,18,19).
What are the key properties of 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide?
2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide has a molecular weight of 378.63 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(1H-pyrazolo[3,4-b]pyrazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 141318157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).