5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide

C9H7Cl3N4O2S — CID 54922613

IUPAC5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3N4O2S/c10-4-1-5(11)8(6(12)2-4)16-19(17,18)7-3-14-15-9(7)13/h1-3,16H,(H3,13,14,15)
InChIKeyASUIOQOBWFHQPX-UHFFFAOYSA-N
MW341.61 g/mol
LogP2.75
Rot. Bonds3

About 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54922613) has the molecular formula C9H7Cl3N4O2S and a molecular weight of 341.61 g/mol. Its IUPAC name is 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54922613
Molecular FormulaC9H7Cl3N4O2S
Molecular Weight341.61 g/mol
Exact Mass339.94
IUPAC Name5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3N4O2S/c10-4-1-5(11)8(6(12)2-4)16-19(17,18)7-3-14-15-9(7)13/h1-3,16H,(H3,13,14,15)
InChIKeyASUIOQOBWFHQPX-UHFFFAOYSA-N
XLogP2.75
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.61
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
5-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 65475983
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
5-amino-N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54955523
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5-amino-N-(thiadiazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 114911708
2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 43258819
5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 114049200
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
5-amino-N-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazole-4-sulfonamide
CID 79353081

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide (CID 54922613) is 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ASUIOQOBWFHQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3N4O2S/c10-4-1-5(11)8(6(12)2-4)16-19(17,18)7-3-14-15-9(7)13/h1-3,16H,(H3,13,14,15).
What are the key properties of 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 341.61 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54922613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).