4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide

C17H19N3O2S — CID 59744556

IUPAC4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc2c(-c3ccc(S(=O)(=O)NC(C)C)cc3)ccnc2[nH]1
InChIInChI=1S/C17H19N3O2S/c1-11(2)20-23(21,22)14-6-4-13(5-7-14)15-8-9-18-17-16(15)10-12(3)19-17/h4-11,20H,1-3H3,(H,18,19)
InChIKeyAJCCOFITTFXZJF-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.23
Rot. Bonds4

About 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide

4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide (PubChem CID 59744556) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide
PubChem CID59744556
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide
SMILESCc1cc2c(-c3ccc(S(=O)(=O)NC(C)C)cc3)ccnc2[nH]1
InChIInChI=1S/C17H19N3O2S/c1-11(2)20-23(21,22)14-6-4-13(5-7-14)15-8-9-18-17-16(15)10-12(3)19-17/h4-11,20H,1-3H3,(H,18,19)
InChIKeyAJCCOFITTFXZJF-UHFFFAOYSA-N
XLogP3.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide (CID 59744556) is 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide is Cc1cc2c(-c3ccc(S(=O)(=O)NC(C)C)cc3)ccnc2[nH]1.
What is the InChIKey of 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide?
The InChIKey is AJCCOFITTFXZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11(2)20-23(21,22)14-6-4-13(5-7-14)15-8-9-18-17-16(15)10-12(3)19-17/h4-11,20H,1-3H3,(H,18,19).
What are the key properties of 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide?
4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 59744556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).