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

C17H13F3N2O2S2 — CID 7522061

IUPAC2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1F
InChIInChI=1S/C17H13F3N2O2S2/c18-12-3-1-11(2-4-12)17-22-14(10-25-17)7-8-21-26(23,24)16-6-5-13(19)9-15(16)20/h1-6,9-10,21H,7-8H2
InChIKeyYMFZPYRKZYXKBE-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.75
Rot. Bonds6

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

2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 7522061) has the molecular formula C17H13F3N2O2S2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
PubChem CID7522061
Molecular FormulaC17H13F3N2O2S2
Molecular Weight398.43 g/mol
Exact Mass398.04
IUPAC Name2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1F
InChIInChI=1S/C17H13F3N2O2S2/c18-12-3-1-11(2-4-12)17-22-14(10-25-17)7-8-21-26(23,24)16-6-5-13(19)9-15(16)20/h1-6,9-10,21H,7-8H2
InChIKeyYMFZPYRKZYXKBE-UHFFFAOYSA-N
XLogP3.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (CID 7522061) is 2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is YMFZPYRKZYXKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S2/c18-12-3-1-11(2-4-12)17-22-14(10-25-17)7-8-21-26(23,24)16-6-5-13(19)9-15(16)20/h1-6,9-10,21H,7-8H2.
What are the key properties of 2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 398.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 7522061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).