N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide

C9H4BrF3N2O2S2 — CID 54881580

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H4BrF3N2O2S2/c10-7-3-14-9(18-7)15-19(16,17)8-5(12)1-4(11)2-6(8)13/h1-3H,(H,14,15)
InChIKeyFIXZAUGFAWEXQC-UHFFFAOYSA-N
MW373.18 g/mol
LogP3.12
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide (PubChem CID 54881580) has the molecular formula C9H4BrF3N2O2S2 and a molecular weight of 373.18 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide
PubChem CID54881580
Molecular FormulaC9H4BrF3N2O2S2
Molecular Weight373.18 g/mol
Exact Mass371.88
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H4BrF3N2O2S2/c10-7-3-14-9(18-7)15-19(16,17)8-5(12)1-4(11)2-6(8)13/h1-3H,(H,14,15)
InChIKeyFIXZAUGFAWEXQC-UHFFFAOYSA-N
XLogP3.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 107649952
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
3-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-4,5-difluorobenzoic acid
CID 105112964
3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421295
6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
CID 60785111
5-amino-N-(5-bromo-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 62146498
N-(5-bromo-1,3-thiazol-2-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004029
N-(5-bromo-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60784344
N-(5-bromo-1,3-thiazol-2-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62147032
N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 64607879
5-(aminomethyl)-N-(5-bromo-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 60785281
2-bromo-4,6-difluoro-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775763

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide (CID 54881580) is N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide is O=S(=O)(Nc1ncc(Br)s1)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is FIXZAUGFAWEXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O2S2/c10-7-3-14-9(18-7)15-19(16,17)8-5(12)1-4(11)2-6(8)13/h1-3H,(H,14,15).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 373.18 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 54881580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).