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

C20H24N4O2S — CID 24662861

IUPAC4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc12
InChIInChI=1S/C20H24N4O2S/c1-14-19-12-17(13-21-20(19)24(2)22-14)23-27(25,26)18-10-8-16(9-11-18)15-6-4-3-5-7-15/h8-13,15,23H,3-7H2,1-2H3
InChIKeyYJVGOAFXERCJOU-UHFFFAOYSA-N
MW384.51 g/mol
LogP4.13
Rot. Bonds4

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

4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide (PubChem CID 24662861) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
PubChem CID24662861
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
SMILESCc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc12
InChIInChI=1S/C20H24N4O2S/c1-14-19-12-17(13-21-20(19)24(2)22-14)23-27(25,26)18-10-8-16(9-11-18)15-6-4-3-5-7-15/h8-13,15,23H,3-7H2,1-2H3
InChIKeyYJVGOAFXERCJOU-UHFFFAOYSA-N
XLogP4.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide (CID 24662861) is 4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide is Cc1nn(C)c2ncc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc12.
What is the InChIKey of 4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
The InChIKey is YJVGOAFXERCJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-14-19-12-17(13-21-20(19)24(2)22-14)23-27(25,26)18-10-8-16(9-11-18)15-6-4-3-5-7-15/h8-13,15,23H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide?
4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide has a molecular weight of 384.51 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide is sourced from PubChem (CID 24662861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).