2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide

C15H15N3O5S — CID 2227030

IUPAC2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H15N3O5S/c1-24(20,21)18(9-15(19)17-11-3-2-6-16-8-11)12-4-5-13-14(7-12)23-10-22-13/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyWWCXLIITVQDKOT-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.22
Rot. Bonds5

About 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide

2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide (PubChem CID 2227030) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide
PubChem CID2227030
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H15N3O5S/c1-24(20,21)18(9-15(19)17-11-3-2-6-16-8-11)12-4-5-13-14(7-12)23-10-22-13/h2-8H,9-10H2,1H3,(H,17,19)
InChIKeyWWCXLIITVQDKOT-UHFFFAOYSA-N
XLogP1.22
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide (CID 2227030) is 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide is CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide?
The InChIKey is WWCXLIITVQDKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-24(20,21)18(9-15(19)17-11-3-2-6-16-8-11)12-4-5-13-14(7-12)23-10-22-13/h2-8H,9-10H2,1H3,(H,17,19).
What are the key properties of 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide?
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide has a molecular weight of 349.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 2227030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).