2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride

C13H13ClN2O2S — CID 19698713

IUPAC2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride
SMILESCl.NC(=O)CS(=O)c1ccccc1-c1ccncc1
InChIInChI=1S/C13H12N2O2S.ClH/c14-13(16)9-18(17)12-4-2-1-3-11(12)10-5-7-15-8-6-10;/h1-8H,9H2,(H2,14,16);1H
InChIKeyZPODJVLAOOXMIP-UHFFFAOYSA-N
MW296.78 g/mol
LogP1.76
Rot. Bonds4

About 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride

2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride (PubChem CID 19698713) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride
PubChem CID19698713
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride
SMILESCl.NC(=O)CS(=O)c1ccccc1-c1ccncc1
InChIInChI=1S/C13H12N2O2S.ClH/c14-13(16)9-18(17)12-4-2-1-3-11(12)10-5-7-15-8-6-10;/h1-8H,9H2,(H2,14,16);1H
InChIKeyZPODJVLAOOXMIP-UHFFFAOYSA-N
XLogP1.76
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride?
The IUPAC name of 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride (CID 19698713) is 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride?
The canonical SMILES for 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride is Cl.NC(=O)CS(=O)c1ccccc1-c1ccncc1.
What is the InChIKey of 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride?
The InChIKey is ZPODJVLAOOXMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S.ClH/c14-13(16)9-18(17)12-4-2-1-3-11(12)10-5-7-15-8-6-10;/h1-8H,9H2,(H2,14,16);1H.
What are the key properties of 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride?
2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride has a molecular weight of 296.78 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylphenyl)sulfinylacetamide;hydrochloride is sourced from PubChem (CID 19698713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).