5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide

C15H11ClN4OS — CID 169403301

IUPAC5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C15H11ClN4OS/c16-11-3-1-2-4-12(11)22-10-7-5-9(6-8-10)13-14(15(17)21)19-20-18-13/h1-8H,(H2,17,21)(H,18,19,20)
InChIKeyLYBGPNQUGAXVIW-UHFFFAOYSA-N
MW330.80 g/mol
LogP3.38
Rot. Bonds4

About 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide

5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide (PubChem CID 169403301) has the molecular formula C15H11ClN4OS and a molecular weight of 330.80 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide
PubChem CID169403301
Molecular FormulaC15H11ClN4OS
Molecular Weight330.80 g/mol
Exact Mass330.03
IUPAC Name5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide
SMILESNC(=O)c1n[nH]nc1-c1ccc(Sc2ccccc2Cl)cc1
InChIInChI=1S/C15H11ClN4OS/c16-11-3-1-2-4-12(11)22-10-7-5-9(6-8-10)13-14(15(17)21)19-20-18-13/h1-8H,(H2,17,21)(H,18,19,20)
InChIKeyLYBGPNQUGAXVIW-UHFFFAOYSA-N
XLogP3.38
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-4-phenylphenyl)-2H-triazole-4-carboxamide
CID 169403250
5-[4-(N-methylanilino)phenyl]-2H-triazole-4-carboxamide
CID 169402424
ethyl 5-[2-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxylate
CID 169400307
5-(4-cyanophenyl)-2H-triazole-4-carboxamide
CID 169401962
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 169403054
2-(5-carbamoyl-2H-triazol-4-yl)-3-chlorobenzoic acid
CID 169403056
3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide
CID 175786309
5-[4-(2-pyrimidin-5-ylethynyl)phenyl]-2H-triazole-4-carboxamide
CID 169403167
5-[4-(pyrrolidine-1-carbonyl)phenyl]-2H-triazole-4-carboxamide
CID 169403975
5-(2-propylsulfanylphenyl)-2H-triazole-4-carboxamide
CID 169402539
5-(4-chlorophenyl)-2H-triazole-4-carboxylic acid
CID 82372862
5-[2-[(2-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169402786

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide (CID 169403301) is 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide is NC(=O)c1n[nH]nc1-c1ccc(Sc2ccccc2Cl)cc1.
What is the InChIKey of 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide?
The InChIKey is LYBGPNQUGAXVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4OS/c16-11-3-1-2-4-12(11)22-10-7-5-9(6-8-10)13-14(15(17)21)19-20-18-13/h1-8H,(H2,17,21)(H,18,19,20).
What are the key properties of 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide?
5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide has a molecular weight of 330.80 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).