6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide

C11H12BrN3O2S2 — CID 60785111

IUPAC6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2ncc(Br)s2)c1C
InChIInChI=1S/C11H12BrN3O2S2/c1-6-3-4-8(13)10(7(6)2)19(16,17)15-11-14-5-9(12)18-11/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyCJYSYBKJNUUANO-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.91
Rot. Bonds3

About 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide (PubChem CID 60785111) has the molecular formula C11H12BrN3O2S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
PubChem CID60785111
Molecular FormulaC11H12BrN3O2S2
Molecular Weight362.27 g/mol
Exact Mass360.96
IUPAC Name6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)Nc2ncc(Br)s2)c1C
InChIInChI=1S/C11H12BrN3O2S2/c1-6-3-4-8(13)10(7(6)2)19(16,17)15-11-14-5-9(12)18-11/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyCJYSYBKJNUUANO-UHFFFAOYSA-N
XLogP2.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.91
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

3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421295
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide
CID 54881580
6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903477
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920069
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-3-methylbenzenecarbothioamide
CID 106997793
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43258376
6-amino-N-(4-ethyl-1H-pyrazol-5-yl)-2,3-dimethylbenzenesulfonamide
CID 104617205

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide (CID 60785111) is 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)Nc2ncc(Br)s2)c1C.
What is the InChIKey of 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is CJYSYBKJNUUANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S2/c1-6-3-4-8(13)10(7(6)2)19(16,17)15-11-14-5-9(12)18-11/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 362.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 60785111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).