N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide

C11H10BrN3O3S2 — CID 115329454

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2ccc(Br)c(N)c2)n1
InChIInChI=1S/C11H10BrN3O3S2/c1-6(16)10-5-19-11(14-10)15-20(17,18)7-2-3-8(12)9(13)4-7/h2-5H,13H2,1H3,(H,14,15)
InChIKeyCOQNGOOHNGALSK-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.49
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide (PubChem CID 115329454) has the molecular formula C11H10BrN3O3S2 and a molecular weight of 376.26 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
PubChem CID115329454
Molecular FormulaC11H10BrN3O3S2
Molecular Weight376.26 g/mol
Exact Mass374.93
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide
SMILESCC(=O)c1csc(NS(=O)(=O)c2ccc(Br)c(N)c2)n1
InChIInChI=1S/C11H10BrN3O3S2/c1-6(16)10-5-19-11(14-10)15-20(17,18)7-2-3-8(12)9(13)4-7/h2-5H,13H2,1H3,(H,14,15)
InChIKeyCOQNGOOHNGALSK-UHFFFAOYSA-N
XLogP2.49
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide 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

3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 115328636
N-(4-acetyl-1,3-thiazol-2-yl)-5-amino-4-bromo-2-methylbenzenesulfonamide
CID 114625789
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 62998514
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-dibromobenzenesulfonamide
CID 63000153
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-5-fluorobenzenesulfonamide
CID 64557052
N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-4,5-dimethylbenzenesulfonamide
CID 64555855
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
CID 62997780
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842542
N-(4-acetyl-1,3-thiazol-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 62999070
N-(4-acetyl-1,3-thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 62998699
3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
CID 115329583
1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethanone
CID 114815388

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide (CID 115329454) is N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide is CC(=O)c1csc(NS(=O)(=O)c2ccc(Br)c(N)c2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide?
The InChIKey is COQNGOOHNGALSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3S2/c1-6(16)10-5-19-11(14-10)15-20(17,18)7-2-3-8(12)9(13)4-7/h2-5H,13H2,1H3,(H,14,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide has a molecular weight of 376.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-amino-4-bromobenzenesulfonamide is sourced from PubChem (CID 115329454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).