2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide

C17H13F3N2O4S2 — CID 152613697

IUPAC2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nc(COc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C17H13F3N2O4S2/c18-17(19,20)26-13-7-5-12(6-8-13)25-9-11-10-27-16(22-11)14-3-1-2-4-15(14)28(21,23)24/h1-8,10H,9H2,(H2,21,23,24)
InChIKeyZABGGAAYWCEJNX-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.94
Rot. Bonds6

About 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide

2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 152613697) has the molecular formula C17H13F3N2O4S2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID152613697
Molecular FormulaC17H13F3N2O4S2
Molecular Weight430.43 g/mol
Exact Mass430.03
IUPAC Name2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nc(COc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C17H13F3N2O4S2/c18-17(19,20)26-13-7-5-12(6-8-13)25-9-11-10-27-16(22-11)14-3-1-2-4-15(14)28(21,23)24/h1-8,10H,9H2,(H2,21,23,24)
InChIKeyZABGGAAYWCEJNX-UHFFFAOYSA-N
XLogP3.94
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide with MolForge

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Related Compounds

methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 51173434
3-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]propanoic acid
CID 103485252
2-[2-[2-[4-(trifluoromethoxy)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008032
2-(4-fluorophenyl)-4-[(4-methylsulfonylphenoxy)methyl]-1,3-thiazole
CID 51327833
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
2-[4-[(3-methoxy-5-methylpyrazin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 91326938
2-[2-(phenoxymethyl)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 67622817
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
2-methylbenzenesulfonic acid;4-[[4-[2-(triazol-1-yl)ethoxymethyl]phenoxy]methyl]-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-thiazole
CID 173196081
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]aniline
CID 107507057
N-[3-[[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 14479967
2-(4-methylsulfonylphenyl)-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole
CID 166189607

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide (CID 152613697) is 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1nc(COc2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is ZABGGAAYWCEJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4S2/c18-17(19,20)26-13-7-5-12(6-8-13)25-9-11-10-27-16(22-11)14-3-1-2-4-15(14)28(21,23)24/h1-8,10H,9H2,(H2,21,23,24).
What are the key properties of 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide?
2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 430.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 152613697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).