2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol

C15H15N3O3S — CID 174208567

IUPAC2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol
SMILESNC(CO)c1cc2cnccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15N3O3S/c16-13(10-19)15-8-11-9-17-7-6-14(11)18(15)22(20,21)12-4-2-1-3-5-12/h1-9,13,19H,10,16H2
InChIKeyYLDVKDXZEXDJCH-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.27
Rot. Bonds4

About 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol

2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol (PubChem CID 174208567) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol
PubChem CID174208567
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol
SMILESNC(CO)c1cc2cnccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15N3O3S/c16-13(10-19)15-8-11-9-17-7-6-14(11)18(15)22(20,21)12-4-2-1-3-5-12/h1-9,13,19H,10,16H2
InChIKeyYLDVKDXZEXDJCH-UHFFFAOYSA-N
XLogP1.27
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol?
The IUPAC name of 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol (CID 174208567) is 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol is NC(CO)c1cc2cnccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol?
The InChIKey is YLDVKDXZEXDJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c16-13(10-19)15-8-11-9-17-7-6-14(11)18(15)22(20,21)12-4-2-1-3-5-12/h1-9,13,19H,10,16H2.
What are the key properties of 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol?
2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol has a molecular weight of 317.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-(benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol is sourced from PubChem (CID 174208567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).