1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide

C10H9Cl2N5O3S — CID 14255125

IUPAC1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(=O)n1nc(S(=O)(=O)Nc2c(Cl)cccc2Cl)nc1N
InChIInChI=1S/C10H9Cl2N5O3S/c1-5(18)17-9(13)14-10(15-17)21(19,20)16-8-6(11)3-2-4-7(8)12/h2-4,16H,1H3,(H2,13,14,15)
InChIKeyAZGQFICFXFTVTH-UHFFFAOYSA-N
MW350.19 g/mol
LogP1.63
Rot. Bonds3

About 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide

1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 14255125) has the molecular formula C10H9Cl2N5O3S and a molecular weight of 350.19 g/mol. Its IUPAC name is 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide
PubChem CID14255125
Molecular FormulaC10H9Cl2N5O3S
Molecular Weight350.19 g/mol
Exact Mass348.98
IUPAC Name1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(=O)n1nc(S(=O)(=O)Nc2c(Cl)cccc2Cl)nc1N
InChIInChI=1S/C10H9Cl2N5O3S/c1-5(18)17-9(13)14-10(15-17)21(19,20)16-8-6(11)3-2-4-7(8)12/h2-4,16H,1H3,(H2,13,14,15)
InChIKeyAZGQFICFXFTVTH-UHFFFAOYSA-N
XLogP1.63
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide (CID 14255125) is 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide is CC(=O)n1nc(S(=O)(=O)Nc2c(Cl)cccc2Cl)nc1N.
What is the InChIKey of 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is AZGQFICFXFTVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O3S/c1-5(18)17-9(13)14-10(15-17)21(19,20)16-8-6(11)3-2-4-7(8)12/h2-4,16H,1H3,(H2,13,14,15).
What are the key properties of 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide?
1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 350.19 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-amino-N-(2,6-dichlorophenyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 14255125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).