N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

C18H21N3O2S — CID 58215744

IUPACN-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2c(C)c3ccccc3n2C)c1
InChIInChI=1S/C18H21N3O2S/c1-4-24(22,23)20-11-14-9-15(12-19-10-14)18-13(2)16-7-5-6-8-17(16)21(18)3/h5-10,12,20H,4,11H2,1-3H3
InChIKeyHIPNHSSCPKEQNG-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.99
Rot. Bonds5

About N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide

N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (PubChem CID 58215744) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
PubChem CID58215744
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cncc(-c2c(C)c3ccccc3n2C)c1
InChIInChI=1S/C18H21N3O2S/c1-4-24(22,23)20-11-14-9-15(12-19-10-14)18-13(2)16-7-5-6-8-17(16)21(18)3/h5-10,12,20H,4,11H2,1-3H3
InChIKeyHIPNHSSCPKEQNG-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide (CID 58215744) is N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cncc(-c2c(C)c3ccccc3n2C)c1.
What is the InChIKey of N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
The InChIKey is HIPNHSSCPKEQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-24(22,23)20-11-14-9-15(12-19-10-14)18-13(2)16-7-5-6-8-17(16)21(18)3/h5-10,12,20H,4,11H2,1-3H3.
What are the key properties of N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide?
N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-dimethylindol-2-yl)-3-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 58215744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).