2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine

C15H14ClN3O2S — CID 45487150

IUPAC2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2ncccc21
InChIInChI=1S/C15H14ClN3O2S/c16-11-3-1-4-12(9-11)22(20,21)14-10-19(8-6-17)13-5-2-7-18-15(13)14/h1-5,7,9-10H,6,8,17H2
InChIKeyXNTQMUOLSNCKFE-UHFFFAOYSA-N
MW335.82 g/mol
LogP2.48
Rot. Bonds4

About 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine

2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine (PubChem CID 45487150) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine
PubChem CID45487150
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine
SMILESNCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2ncccc21
InChIInChI=1S/C15H14ClN3O2S/c16-11-3-1-4-12(9-11)22(20,21)14-10-19(8-6-17)13-5-2-7-18-15(13)14/h1-5,7,9-10H,6,8,17H2
InChIKeyXNTQMUOLSNCKFE-UHFFFAOYSA-N
XLogP2.48
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine?
The IUPAC name of 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine (CID 45487150) is 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine?
The canonical SMILES for 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine is NCCn1cc(S(=O)(=O)c2cccc(Cl)c2)c2ncccc21.
What is the InChIKey of 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine?
The InChIKey is XNTQMUOLSNCKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c16-11-3-1-4-12(9-11)22(20,21)14-10-19(8-6-17)13-5-2-7-18-15(13)14/h1-5,7,9-10H,6,8,17H2.
What are the key properties of 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine?
2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine has a molecular weight of 335.82 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-1-yl]ethanamine is sourced from PubChem (CID 45487150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).