2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C12H12F2N2O2S2 — CID 84587594

IUPAC2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCCc2nccs2)cc1F
InChIInChI=1S/C12H12F2N2O2S2/c1-8-6-10(14)11(7-9(8)13)20(17,18)16-3-2-12-15-4-5-19-12/h4-7,16H,2-3H2,1H3
InChIKeyKWYMUFQSRKSTHP-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.25
Rot. Bonds5

About 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide

2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 84587594) has the molecular formula C12H12F2N2O2S2 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID84587594
Molecular FormulaC12H12F2N2O2S2
Molecular Weight318.37 g/mol
Exact Mass318.03
IUPAC Name2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NCCc2nccs2)cc1F
InChIInChI=1S/C12H12F2N2O2S2/c1-8-6-10(14)11(7-9(8)13)20(17,18)16-3-2-12-15-4-5-19-12/h4-7,16H,2-3H2,1H3
InChIKeyKWYMUFQSRKSTHP-UHFFFAOYSA-N
XLogP2.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 84587594) is 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1cc(F)c(S(=O)(=O)NCCc2nccs2)cc1F.
What is the InChIKey of 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is KWYMUFQSRKSTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2S2/c1-8-6-10(14)11(7-9(8)13)20(17,18)16-3-2-12-15-4-5-19-12/h4-7,16H,2-3H2,1H3.
What are the key properties of 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 318.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 84587594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).