N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide

C17H16N4O2S — CID 59534652

IUPACN-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2c(C#N)c3ccccc3n2C)c1
InChIInChI=1S/C17H16N4O2S/c1-3-24(22,23)20-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)2/h4-8,10-11,20H,3H2,1-2H3
InChIKeyIEOQZKGIYGRWJF-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.87
Rot. Bonds4

About N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide

N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide (PubChem CID 59534652) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide
PubChem CID59534652
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cncc(-c2c(C#N)c3ccccc3n2C)c1
InChIInChI=1S/C17H16N4O2S/c1-3-24(22,23)20-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)2/h4-8,10-11,20H,3H2,1-2H3
InChIKeyIEOQZKGIYGRWJF-UHFFFAOYSA-N
XLogP2.87
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide (CID 59534652) is N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cncc(-c2c(C#N)c3ccccc3n2C)c1.
What is the InChIKey of N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is IEOQZKGIYGRWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-3-24(22,23)20-13-8-12(10-19-11-13)17-15(9-18)14-6-4-5-7-16(14)21(17)2/h4-8,10-11,20H,3H2,1-2H3.
What are the key properties of N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide?
N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 340.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyano-1-methylindol-2-yl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 59534652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).