1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide

C12H12BrFN2O2S2 — CID 51134908

IUPAC1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2ccc(Br)cc2F)cs1
InChIInChI=1S/C12H12BrFN2O2S2/c1-8-16-11(6-19-8)5-15-20(17,18)7-9-2-3-10(13)4-12(9)14/h2-4,6,15H,5,7H2,1H3
InChIKeyYHRNKLSSQCTBMG-UHFFFAOYSA-N
MW379.28 g/mol
LogP2.97
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide

1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (PubChem CID 51134908) has the molecular formula C12H12BrFN2O2S2 and a molecular weight of 379.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
PubChem CID51134908
Molecular FormulaC12H12BrFN2O2S2
Molecular Weight379.28 g/mol
Exact Mass377.95
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
SMILESCc1nc(CNS(=O)(=O)Cc2ccc(Br)cc2F)cs1
InChIInChI=1S/C12H12BrFN2O2S2/c1-8-16-11(6-19-8)5-15-20(17,18)7-9-2-3-10(13)4-12(9)14/h2-4,6,15H,5,7H2,1H3
InChIKeyYHRNKLSSQCTBMG-UHFFFAOYSA-N
XLogP2.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide (CID 51134908) is 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is Cc1nc(CNS(=O)(=O)Cc2ccc(Br)cc2F)cs1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
The InChIKey is YHRNKLSSQCTBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O2S2/c1-8-16-11(6-19-8)5-15-20(17,18)7-9-2-3-10(13)4-12(9)14/h2-4,6,15H,5,7H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide?
1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide has a molecular weight of 379.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 51134908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).