N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide

C19H23N3O2S — CID 71730687

IUPACN-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@H](C)c1ccc(-n2ccc3cccnc32)cc1
InChIInChI=1S/C19H23N3O2S/c1-14(2)25(23,24)21-13-15(3)16-6-8-18(9-7-16)22-12-10-17-5-4-11-20-19(17)22/h4-12,14-15,21H,13H2,1-3H3/t15-/m0/s1
InChIKeySUALDOCLQZDVQE-HNNXBMFYSA-N
MW357.48 g/mol
LogP3.46
Rot. Bonds6

About N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide

N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide (PubChem CID 71730687) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide
PubChem CID71730687
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC[C@H](C)c1ccc(-n2ccc3cccnc32)cc1
InChIInChI=1S/C19H23N3O2S/c1-14(2)25(23,24)21-13-15(3)16-6-8-18(9-7-16)22-12-10-17-5-4-11-20-19(17)22/h4-12,14-15,21H,13H2,1-3H3/t15-/m0/s1
InChIKeySUALDOCLQZDVQE-HNNXBMFYSA-N
XLogP3.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide (CID 71730687) is N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC[C@H](C)c1ccc(-n2ccc3cccnc32)cc1.
What is the InChIKey of N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide?
The InChIKey is SUALDOCLQZDVQE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14(2)25(23,24)21-13-15(3)16-6-8-18(9-7-16)22-12-10-17-5-4-11-20-19(17)22/h4-12,14-15,21H,13H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide?
N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-pyrrolo[2,3-b]pyridin-1-ylphenyl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 71730687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).