N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide

C12H9Cl3N2O3S2 — CID 11177040

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide
SMILESCC(=O)c1sc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nc1C
InChIInChI=1S/C12H9Cl3N2O3S2/c1-5-10(6(2)18)21-12(16-5)17-22(19,20)11-8(14)3-7(13)4-9(11)15/h3-4H,1-2H3,(H,16,17)
InChIKeyKHQBTIINCMGCHV-UHFFFAOYSA-N
MW399.71 g/mol
LogP4.42
Rot. Bonds4

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide (PubChem CID 11177040) has the molecular formula C12H9Cl3N2O3S2 and a molecular weight of 399.71 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide
PubChem CID11177040
Molecular FormulaC12H9Cl3N2O3S2
Molecular Weight399.71 g/mol
Exact Mass397.91
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide
SMILESCC(=O)c1sc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nc1C
InChIInChI=1S/C12H9Cl3N2O3S2/c1-5-10(6(2)18)21-12(16-5)17-22(19,20)11-8(14)3-7(13)4-9(11)15/h3-4H,1-2H3,(H,16,17)
InChIKeyKHQBTIINCMGCHV-UHFFFAOYSA-N
XLogP4.42
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.71
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide 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

2-[4-methyl-2-[(2,4,6-trichlorophenyl)sulfonylamino]-1,3-thiazol-5-yl]propanoic acid
CID 87500045
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425
1-[2-(2,4-dichloroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4185103
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-bromo-2,5-difluorobenzenesulfonamide
CID 11200726
N-(5-butyl-4-methyl-1,3-thiazol-2-yl)-2,4-dichloro-6-methylbenzenesulfonamide
CID 10200568
1-[2-(3-chloro-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4816637
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanesulfonamide
CID 166273875
2,4-dichloro-6-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 10270918
2-[2-[(2,4-dichloro-6-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-2-oxoacetic acid
CID 87546058
2-(benzenesulfonamido)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20983476
2-[(4-chlorophenyl)sulfonylamino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 16944752
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16944742

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide (CID 11177040) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide is CC(=O)c1sc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide?
The InChIKey is KHQBTIINCMGCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O3S2/c1-5-10(6(2)18)21-12(16-5)17-22(19,20)11-8(14)3-7(13)4-9(11)15/h3-4H,1-2H3,(H,16,17).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide has a molecular weight of 399.71 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4,6-trichlorobenzenesulfonamide is sourced from PubChem (CID 11177040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).