2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H13F3N2O3S2 — CID 134586159

IUPAC2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC[C@H](Oc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1F)c1ccccc1F
InChIInChI=1S/C17H13F3N2O3S2/c1-10(11-4-2-3-5-12(11)18)25-15-8-14(20)16(9-13(15)19)27(23,24)22-17-21-6-7-26-17/h2-10H,1H3,(H,21,22)/t10-/m0/s1
InChIKeyLDRSXZSIUNZYNB-JTQLQIEISA-N
MW414.43 g/mol
LogP4.50
Rot. Bonds6

About 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 134586159) has the molecular formula C17H13F3N2O3S2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID134586159
Molecular FormulaC17H13F3N2O3S2
Molecular Weight414.43 g/mol
Exact Mass414.03
IUPAC Name2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC[C@H](Oc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1F)c1ccccc1F
InChIInChI=1S/C17H13F3N2O3S2/c1-10(11-4-2-3-5-12(11)18)25-15-8-14(20)16(9-13(15)19)27(23,24)22-17-21-6-7-26-17/h2-10H,1H3,(H,21,22)/t10-/m0/s1
InChIKeyLDRSXZSIUNZYNB-JTQLQIEISA-N
XLogP4.50
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 134586159) is 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is C[C@H](Oc1cc(F)c(S(=O)(=O)Nc2nccs2)cc1F)c1ccccc1F.
What is the InChIKey of 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LDRSXZSIUNZYNB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13F3N2O3S2/c1-10(11-4-2-3-5-12(11)18)25-15-8-14(20)16(9-13(15)19)27(23,24)22-17-21-6-7-26-17/h2-10H,1H3,(H,21,22)/t10-/m0/s1.
What are the key properties of 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 414.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[(1S)-1-(2-fluorophenyl)ethoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 134586159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).