N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide

C14H9Cl2F3N2OS — CID 4847268

IUPACN-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccnc1Cl
InChIInChI=1S/C14H9Cl2F3N2OS/c15-10-4-3-8(6-9(10)14(17,18)19)23-7-12(22)21-11-2-1-5-20-13(11)16/h1-6H,7H2,(H,21,22)
InChIKeyKCLBEYATYWBBCR-UHFFFAOYSA-N
MW381.21 g/mol
LogP5.14
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 4847268) has the molecular formula C14H9Cl2F3N2OS and a molecular weight of 381.21 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID4847268
Molecular FormulaC14H9Cl2F3N2OS
Molecular Weight381.21 g/mol
Exact Mass379.98
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccnc1Cl
InChIInChI=1S/C14H9Cl2F3N2OS/c15-10-4-3-8(6-9(10)14(17,18)19)23-7-12(22)21-11-2-1-5-20-13(11)16/h1-6H,7H2,(H,21,22)
InChIKeyKCLBEYATYWBBCR-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.21
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 79149350
N-(2-acetylphenyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7363976
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 7744036
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 7744043
N-(2-chloro-3-pyridinyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18276902
N-(2-chloro-3-pyridinyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3894408
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16514536
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-methylacetamide
CID 8789728
2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide
CID 7592959
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 51258941
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16514513

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 4847268) is N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide is O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is KCLBEYATYWBBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2OS/c15-10-4-3-8(6-9(10)14(17,18)19)23-7-12(22)21-11-2-1-5-20-13(11)16/h1-6H,7H2,(H,21,22).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 381.21 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 4847268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).