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

C12H12BrFN2O2S2 — CID 61066614

IUPAC2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(F)cc2Br)sc1C
InChIInChI=1S/C12H12BrFN2O2S2/c1-3-10-7(2)19-12(15-10)16-20(17,18)11-5-4-8(14)6-9(11)13/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyWSUCFHYGIMRZEG-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.72
Rot. Bonds4

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

2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 61066614) has the molecular formula C12H12BrFN2O2S2 and a molecular weight of 379.28 g/mol. Its IUPAC name is 2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
PubChem CID61066614
Molecular FormulaC12H12BrFN2O2S2
Molecular Weight379.28 g/mol
Exact Mass377.95
IUPAC Name2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESCCc1nc(NS(=O)(=O)c2ccc(F)cc2Br)sc1C
InChIInChI=1S/C12H12BrFN2O2S2/c1-3-10-7(2)19-12(15-10)16-20(17,18)11-5-4-8(14)6-9(11)13/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyWSUCFHYGIMRZEG-UHFFFAOYSA-N
XLogP3.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.72
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-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide (CID 61066614) is 2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide is CCc1nc(NS(=O)(=O)c2ccc(F)cc2Br)sc1C.
What is the InChIKey of 2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is WSUCFHYGIMRZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2S2/c1-3-10-7(2)19-12(15-10)16-20(17,18)11-5-4-8(14)6-9(11)13/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide?
2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 379.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61066614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).