2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine

C16H17N3O2S — CID 175749757

IUPAC2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine
SMILESCc1c(CCN)c2ccncc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2S/c1-12-14(7-9-17)15-8-10-18-11-16(15)19(12)22(20,21)13-5-3-2-4-6-13/h2-6,8,10-11H,7,9,17H2,1H3
InChIKeyYDLGPHRZHHWUOC-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.08
Rot. Bonds4

About 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine

2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine (PubChem CID 175749757) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine
PubChem CID175749757
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine
SMILESCc1c(CCN)c2ccncc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17N3O2S/c1-12-14(7-9-17)15-8-10-18-11-16(15)19(12)22(20,21)13-5-3-2-4-6-13/h2-6,8,10-11H,7,9,17H2,1H3
InChIKeyYDLGPHRZHHWUOC-UHFFFAOYSA-N
XLogP2.08
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine (CID 175749757) is 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine is Cc1c(CCN)c2ccncc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine?
The InChIKey is YDLGPHRZHHWUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-12-14(7-9-17)15-8-10-18-11-16(15)19(12)22(20,21)13-5-3-2-4-6-13/h2-6,8,10-11H,7,9,17H2,1H3.
What are the key properties of 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine?
2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine has a molecular weight of 315.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-2-methylpyrrolo[2,3-c]pyridin-3-yl]ethanamine is sourced from PubChem (CID 175749757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).