3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide

C10H9BrFN3O2S2 — CID 115421295

IUPAC3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncc(Br)s2)cc(N)c1F
InChIInChI=1S/C10H9BrFN3O2S2/c1-5-2-6(3-7(13)9(5)12)19(16,17)15-10-14-4-8(11)18-10/h2-4H,13H2,1H3,(H,14,15)
InChIKeyLJMGCWHGTPGJPS-UHFFFAOYSA-N
MW366.24 g/mol
LogP2.74
Rot. Bonds3

About 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide

3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide (PubChem CID 115421295) has the molecular formula C10H9BrFN3O2S2 and a molecular weight of 366.24 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide
PubChem CID115421295
Molecular FormulaC10H9BrFN3O2S2
Molecular Weight366.24 g/mol
Exact Mass364.93
IUPAC Name3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncc(Br)s2)cc(N)c1F
InChIInChI=1S/C10H9BrFN3O2S2/c1-5-2-6(3-7(13)9(5)12)19(16,17)15-10-14-4-8(11)18-10/h2-4H,13H2,1H3,(H,14,15)
InChIKeyLJMGCWHGTPGJPS-UHFFFAOYSA-N
XLogP2.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 52.74
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-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920069
3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089
6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
CID 60785111
3-amino-4-fluoro-N-(5-fluoro-2-pyridinyl)-5-methylbenzenesulfonamide
CID 115421691
3-amino-N-(3-bromo-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421695
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 107649952
N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide
CID 54881580
3-amino-4-fluoro-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 115421074
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-nitrobenzenesulfonamide
CID 115421813
3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421078
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide (CID 115421295) is 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ncc(Br)s2)cc(N)c1F.
What is the InChIKey of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide?
The InChIKey is LJMGCWHGTPGJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O2S2/c1-5-2-6(3-7(13)9(5)12)19(16,17)15-10-14-4-8(11)18-10/h2-4H,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide?
3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide has a molecular weight of 366.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 115421295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).