N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide

C17H11F5N2O3S2 — CID 14479967

IUPACN-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2csc(-c3c(F)cccc3F)n2)c1)C(F)(F)F
InChIInChI=1S/C17H11F5N2O3S2/c18-13-5-2-6-14(19)15(13)16-23-11(9-28-16)8-27-12-4-1-3-10(7-12)24-29(25,26)17(20,21)22/h1-7,9,24H,8H2
InChIKeyHLWCUCDVVIOOMS-UHFFFAOYSA-N
MW450.41 g/mol
LogP4.93
Rot. Bonds6

About N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide

N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 14479967) has the molecular formula C17H11F5N2O3S2 and a molecular weight of 450.41 g/mol. Its IUPAC name is N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID14479967
Molecular FormulaC17H11F5N2O3S2
Molecular Weight450.41 g/mol
Exact Mass450.01
IUPAC NameN-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2csc(-c3c(F)cccc3F)n2)c1)C(F)(F)F
InChIInChI=1S/C17H11F5N2O3S2/c18-13-5-2-6-14(19)15(13)16-23-11(9-28-16)8-27-12-4-1-3-10(7-12)24-29(25,26)17(20,21)22/h1-7,9,24H,8H2
InChIKeyHLWCUCDVVIOOMS-UHFFFAOYSA-N
XLogP4.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 10006164
1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide
CID 10051418
2-(4-methylsulfonylphenyl)-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
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CID 43664317
N-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281058
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
N-[[3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]methyl]hydroxylamine
CID 10497495
N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110317259
4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83971235
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 38828534
[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106485183
N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 14479967) is N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(Nc1cccc(OCc2csc(-c3c(F)cccc3F)n2)c1)C(F)(F)F.
What is the InChIKey of N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is HLWCUCDVVIOOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O3S2/c18-13-5-2-6-14(19)15(13)16-23-11(9-28-16)8-27-12-4-1-3-10(7-12)24-29(25,26)17(20,21)22/h1-7,9,24H,8H2.
What are the key properties of N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 450.41 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 14479967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).