2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide

C9H8BrN3O2S2 — CID 43256872

IUPAC2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H8BrN3O2S2/c10-6-1-2-8(7(11)5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,11H2,(H,12,13)
InChIKeyOCHICNJCZJWYIF-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide

2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 43256872) has the molecular formula C9H8BrN3O2S2 and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID43256872
Molecular FormulaC9H8BrN3O2S2
Molecular Weight334.22 g/mol
Exact Mass332.92
IUPAC Name2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1cc(Br)ccc1S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H8BrN3O2S2/c10-6-1-2-8(7(11)5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,11H2,(H,12,13)
InChIKeyOCHICNJCZJWYIF-UHFFFAOYSA-N
XLogP2.29
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25138353
2-amino-4-cyano-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 64899112
2-amino-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62148610
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231
2-amino-4-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587465
2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65490667
3-amino-4-ethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256868
2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031935
5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 43323216
3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
2-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87483084
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 43256872) is 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide is Nc1cc(Br)ccc1S(=O)(=O)Nc1nccs1.
What is the InChIKey of 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is OCHICNJCZJWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2S2/c10-6-1-2-8(7(11)5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,11H2,(H,12,13).
What are the key properties of 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 334.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 43256872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).