N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide

C10H8ClFN4OS — CID 6411119

IUPACN-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H8ClFN4OS/c11-7-3-6(1-2-8(7)12)14-9(17)5-18-10-4-13-16-15-10/h1-4H,5H2,(H,14,17)(H,13,15,16)
InChIKeyOAUVXEZMEVVOCC-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.33
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 6411119) has the molecular formula C10H8ClFN4OS and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID6411119
Molecular FormulaC10H8ClFN4OS
Molecular Weight286.72 g/mol
Exact Mass286.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H8ClFN4OS/c11-7-3-6(1-2-8(7)12)14-9(17)5-18-10-4-13-16-15-10/h1-4H,5H2,(H,14,17)(H,13,15,16)
InChIKeyOAUVXEZMEVVOCC-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027628
2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71296686
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylacetic acid
CID 710279
N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 43936813
2-(2H-triazol-4-ylsulfanyl)-N-[4-[6-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]-1H-benzimidazol-2-yl]phenyl]acetamide
CID 17325104
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153833
N-(3-chloro-4-fluorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1190239
N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40738378
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
2-(2H-triazol-4-ylsulfanyl)-N-[4-[5-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]-1,3-benzoxazol-2-yl]phenyl]acetamide
CID 17325114

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 6411119) is N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide is O=C(CSc1cn[nH]n1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is OAUVXEZMEVVOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4OS/c11-7-3-6(1-2-8(7)12)14-9(17)5-18-10-4-13-16-15-10/h1-4H,5H2,(H,14,17)(H,13,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 286.72 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 6411119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).