3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

C9H7BrClFN4O2S2 — CID 103077729

IUPAC3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1nsc(NS(=O)(=O)c2cc(Cl)c(Br)c(N)c2F)n1
InChIInChI=1S/C9H7BrClFN4O2S2/c1-3-14-9(19-15-3)16-20(17,18)5-2-4(11)6(10)8(13)7(5)12/h2H,13H2,1H3,(H,14,15,16)
InChIKeyHUOZUYZLFNIUOJ-UHFFFAOYSA-N
MW401.67 g/mol
LogP2.78
Rot. Bonds3

About 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 103077729) has the molecular formula C9H7BrClFN4O2S2 and a molecular weight of 401.67 g/mol. Its IUPAC name is 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID103077729
Molecular FormulaC9H7BrClFN4O2S2
Molecular Weight401.67 g/mol
Exact Mass399.89
IUPAC Name3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1nsc(NS(=O)(=O)c2cc(Cl)c(Br)c(N)c2F)n1
InChIInChI=1S/C9H7BrClFN4O2S2/c1-3-14-9(19-15-3)16-20(17,18)5-2-4(11)6(10)8(13)7(5)12/h2H,13H2,1H3,(H,14,15,16)
InChIKeyHUOZUYZLFNIUOJ-UHFFFAOYSA-N
XLogP2.78
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.67
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide 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-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 107343891
3-amino-4-bromo-5-chloro-2-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 103077169
3-amino-4-bromo-5-chloro-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 103077173
3-amino-5-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 114380311
3-amino-4-bromo-5-chloro-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 103077216
3-amino-4-bromo-5-chloro-N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 103077773
3-amino-4-bromo-5-chloro-2-fluoro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 103077395
3-amino-4-bromo-5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 103077389
3-amino-4-bromo-5-chloro-N-(2,2-dimethylpropyl)-2-fluorobenzenesulfonamide
CID 103077381
3-amino-4-bromo-5-chloro-2-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106391937
3-amino-4-bromo-5-chloro-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106181239
3-amino-4-bromo-5-chloro-2-fluoro-N-(2-methylbut-3-yn-2-yl)benzenesulfonamide
CID 103077507

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 103077729) is 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cc1nsc(NS(=O)(=O)c2cc(Cl)c(Br)c(N)c2F)n1.
What is the InChIKey of 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is HUOZUYZLFNIUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFN4O2S2/c1-3-14-9(19-15-3)16-20(17,18)5-2-4(11)6(10)8(13)7(5)12/h2H,13H2,1H3,(H,14,15,16).
What are the key properties of 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 401.67 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 103077729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).