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

C9H6BrFN2O2S2 — CID 25138353

IUPAC4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Br)cc1F
InChIInChI=1S/C9H6BrFN2O2S2/c10-6-1-2-8(7(11)5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
InChIKeySOCUUJODDZAUIO-UHFFFAOYSA-N
MW337.20 g/mol
LogP2.85
Rot. Bonds3

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

4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 25138353) has the molecular formula C9H6BrFN2O2S2 and a molecular weight of 337.20 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID25138353
Molecular FormulaC9H6BrFN2O2S2
Molecular Weight337.20 g/mol
Exact Mass335.90
IUPAC Name4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(Br)cc1F
InChIInChI=1S/C9H6BrFN2O2S2/c10-6-1-2-8(7(11)5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13)
InChIKeySOCUUJODDZAUIO-UHFFFAOYSA-N
XLogP2.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-bromo-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 43256872
5-bromo-2-fluoro-3-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 43323216
4-bromo-N-(3-chloropyrazin-2-yl)-2-fluorobenzenesulfonamide
CID 102989949
N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116528371
4-bromo-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 106261821
5-bromo-2-methyl-N-(1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 71972231
2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546952
4-bromo-N-(2,6-difluorophenyl)-2-fluorobenzenesulfonamide
CID 116528169
4-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 116527788
4-bromo-2-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 116528503
4-[3,4-dimethyl-N-(1H-pyrazol-5-yl)anilino]-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90885323
4-bromo-N-(2-bromophenyl)-2-fluorobenzenesulfonamide
CID 97455644

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 25138353) is 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SOCUUJODDZAUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2S2/c10-6-1-2-8(7(11)5-6)17(14,15)13-9-12-3-4-16-9/h1-5H,(H,12,13).
What are the key properties of 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 337.20 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 25138353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).