N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide

C18H21N3O3S — CID 66793851

IUPACN-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cncc(-c2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C18H21N3O3S/c1-12(2)25(23,24)20-10-13-6-16(11-19-9-13)14-4-5-17-15(7-14)8-18(22)21(17)3/h4-7,9,11-12,20H,8,10H2,1-3H3
InChIKeyWGZPICJRAHQJCL-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.10
Rot. Bonds5

About N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide

N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide (PubChem CID 66793851) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
PubChem CID66793851
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCc1cncc(-c2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C18H21N3O3S/c1-12(2)25(23,24)20-10-13-6-16(11-19-9-13)14-4-5-17-15(7-14)8-18(22)21(17)3/h4-7,9,11-12,20H,8,10H2,1-3H3
InChIKeyWGZPICJRAHQJCL-UHFFFAOYSA-N
XLogP2.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide (CID 66793851) is N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCc1cncc(-c2ccc3c(c2)CC(=O)N3C)c1.
What is the InChIKey of N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide?
The InChIKey is WGZPICJRAHQJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12(2)25(23,24)20-10-13-6-16(11-19-9-13)14-4-5-17-15(7-14)8-18(22)21(17)3/h4-7,9,11-12,20H,8,10H2,1-3H3.
What are the key properties of N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide?
N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide has a molecular weight of 359.45 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methyl-2-oxo-3H-indol-5-yl)-3-pyridinyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 66793851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).