4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

C20H23N3O3S — CID 59744382

IUPAC4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1
InChIInChI=1S/C20H23N3O3S/c1-20(2,24)12-22-27(25,26)15-7-5-13(6-8-15)16-9-10-21-19-17(16)11-18(23-19)14-3-4-14/h5-11,14,22,24H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyHBKASJKFEFLCPR-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.16
Rot. Bonds6

About 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide

4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (PubChem CID 59744382) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
PubChem CID59744382
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
SMILESCC(C)(O)CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1
InChIInChI=1S/C20H23N3O3S/c1-20(2,24)12-22-27(25,26)15-7-5-13(6-8-15)16-9-10-21-19-17(16)11-18(23-19)14-3-4-14/h5-11,14,22,24H,3-4,12H2,1-2H3,(H,21,23)
InChIKeyHBKASJKFEFLCPR-UHFFFAOYSA-N
XLogP3.16
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide (CID 59744382) is 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is CC(C)(O)CNS(=O)(=O)c1ccc(-c2ccnc3[nH]c(C4CC4)cc23)cc1.
What is the InChIKey of 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is HBKASJKFEFLCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-20(2,24)12-22-27(25,26)15-7-5-13(6-8-15)16-9-10-21-19-17(16)11-18(23-19)14-3-4-14/h5-11,14,22,24H,3-4,12H2,1-2H3,(H,21,23).
What are the key properties of 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide?
4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 59744382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).