2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine

C19H17N3O2S — CID 11725505

IUPAC2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
SMILESNCCn1cc(S(=O)(=O)c2cccc3ccccc23)c2cccnc21
InChIInChI=1S/C19H17N3O2S/c20-10-12-22-13-18(16-8-4-11-21-19(16)22)25(23,24)17-9-3-6-14-5-1-2-7-15(14)17/h1-9,11,13H,10,12,20H2
InChIKeyIQEJNMFCUWSNIB-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.98
Rot. Bonds4

About 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine

2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine (PubChem CID 11725505) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
PubChem CID11725505
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
SMILESNCCn1cc(S(=O)(=O)c2cccc3ccccc23)c2cccnc21
InChIInChI=1S/C19H17N3O2S/c20-10-12-22-13-18(16-8-4-11-21-19(16)22)25(23,24)17-9-3-6-14-5-1-2-7-15(14)17/h1-9,11,13H,10,12,20H2
InChIKeyIQEJNMFCUWSNIB-UHFFFAOYSA-N
XLogP2.98
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine?
The IUPAC name of 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine (CID 11725505) is 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine?
The canonical SMILES for 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine is NCCn1cc(S(=O)(=O)c2cccc3ccccc23)c2cccnc21.
What is the InChIKey of 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine?
The InChIKey is IQEJNMFCUWSNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c20-10-12-22-13-18(16-8-4-11-21-19(16)22)25(23,24)17-9-3-6-14-5-1-2-7-15(14)17/h1-9,11,13H,10,12,20H2.
What are the key properties of 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine?
2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine has a molecular weight of 351.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylsulfonylpyrrolo[2,3-b]pyridin-1-yl)ethanamine is sourced from PubChem (CID 11725505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).