2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide

C13H11Cl2N3OS — CID 79149350

IUPAC2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2cccnc2Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3OS/c14-9-6-8(3-4-10(9)16)20-7-12(19)18-11-2-1-5-17-13(11)15/h1-6H,7,16H2,(H,18,19)
InChIKeyCPYOFZSROMKSCY-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.70
Rot. Bonds4

About 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide

2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 79149350) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID79149350
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2cccnc2Cl)cc1Cl
InChIInChI=1S/C13H11Cl2N3OS/c14-9-6-8(3-4-10(9)16)20-7-12(19)18-11-2-1-5-17-13(11)15/h1-6H,7,16H2,(H,18,19)
InChIKeyCPYOFZSROMKSCY-UHFFFAOYSA-N
XLogP3.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4847268
N-(2-chloro-3-pyridinyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18276902
N-(2-chloro-3-pyridinyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2471414
2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 51258941
2-chloro-4-[(2-chloro-3-pyridinyl)methylsulfanyl]aniline
CID 79149946
N-[2-(4-amino-3-chlorophenyl)sulfanylacetyl]benzamide
CID 79130535
2-(4-amino-3-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79129071
N-(2-chloro-3-pyridinyl)-2-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9458717
2-[[4-(2-aminoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 65294412
N-(2-chloro-3-pyridinyl)-2-[[5-[(2,4-dichlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19633014
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79149634
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79149534

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide (CID 79149350) is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide is Nc1ccc(SCC(=O)Nc2cccnc2Cl)cc1Cl.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is CPYOFZSROMKSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c14-9-6-8(3-4-10(9)16)20-7-12(19)18-11-2-1-5-17-13(11)15/h1-6H,7,16H2,(H,18,19).
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide?
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 328.22 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 79149350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).