N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide

C13H10Cl2N2OS — CID 670571

IUPACN-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2OS/c14-10-5-4-9(7-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18)
InChIKeyXXAMDZSAEHGCDZ-UHFFFAOYSA-N
MW313.21 g/mol
LogP4.12
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide

N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 670571) has the molecular formula C13H10Cl2N2OS and a molecular weight of 313.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID670571
Molecular FormulaC13H10Cl2N2OS
Molecular Weight313.21 g/mol
Exact Mass311.99
IUPAC NameN-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2N2OS/c14-10-5-4-9(7-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18)
InChIKeyXXAMDZSAEHGCDZ-UHFFFAOYSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 882650
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-(3,5-dimethylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 670646
5-[(2-pyridin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 708008
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330
N-[4-(dimethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 2964221
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
N-[4-(diethylamino)phenyl]-2-pyridin-2-ylsulfanylacetamide
CID 16530316
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 670571) is N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is XXAMDZSAEHGCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2OS/c14-10-5-4-9(7-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18).
What are the key properties of N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 313.21 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 670571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).