2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide

C11H10BrFN2O2S2 — CID 61074517

IUPAC2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2Br)sc1C
InChIInChI=1S/C11H10BrFN2O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)10-4-3-8(13)5-9(10)12/h3-5H,1-2H3,(H,14,15)
InChIKeyFFSJFOSVKVONFG-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.46
Rot. Bonds3

About 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide

2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 61074517) has the molecular formula C11H10BrFN2O2S2 and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
PubChem CID61074517
Molecular FormulaC11H10BrFN2O2S2
Molecular Weight365.25 g/mol
Exact Mass363.94
IUPAC Name2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2Br)sc1C
InChIInChI=1S/C11H10BrFN2O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)10-4-3-8(13)5-9(10)12/h3-5H,1-2H3,(H,14,15)
InChIKeyFFSJFOSVKVONFG-UHFFFAOYSA-N
XLogP3.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 769157
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 1213359
2,6-dibromo-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 51133523
4-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-difluorobenzenesulfonamide
CID 10178792
4-bromo-2-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 88029409
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 3488775
3-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3743741
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 35538999
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4-difluorobenzenesulfonamide
CID 53520027
N-(4-ethyl-1,3-thiazol-2-yl)-3,4-difluorobenzenesulfonamide
CID 56802035
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-fluorobenzenesulfonamide
CID 56828364
2-bromo-4,6-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60639928

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide (CID 61074517) is 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2Br)sc1C.
What is the InChIKey of 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is FFSJFOSVKVONFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O2S2/c1-6-7(2)18-11(14-6)15-19(16,17)10-4-3-8(13)5-9(10)12/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 365.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61074517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).