4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide

C18H22N4O2S — CID 24662850

IUPAC4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12
InChIInChI=1S/C18H22N4O2S/c1-12-16-10-14(11-19-17(16)22(5)20-12)21-25(23,24)15-8-6-13(7-9-15)18(2,3)4/h6-11,21H,1-5H3
InChIKeyQSIBGVOQCIVHFM-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.38
Rot. Bonds3

About 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide

4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide (PubChem CID 24662850) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
PubChem CID24662850
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12
InChIInChI=1S/C18H22N4O2S/c1-12-16-10-14(11-19-17(16)22(5)20-12)21-25(23,24)15-8-6-13(7-9-15)18(2,3)4/h6-11,21H,1-5H3
InChIKeyQSIBGVOQCIVHFM-UHFFFAOYSA-N
XLogP3.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide (CID 24662850) is 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide is Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12.
What is the InChIKey of 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
The InChIKey is QSIBGVOQCIVHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-16-10-14(11-19-17(16)22(5)20-12)21-25(23,24)15-8-6-13(7-9-15)18(2,3)4/h6-11,21H,1-5H3.
What are the key properties of 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide has a molecular weight of 358.47 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 24662850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).