2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide

C14H9F3N2O3S2 — CID 71888202

IUPAC2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1coc(-c2cccs2)n1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9F3N2O3S2/c15-8-4-10(16)13(11(17)5-8)24(20,21)18-6-9-7-22-14(19-9)12-2-1-3-23-12/h1-5,7,18H,6H2
InChIKeyBAFSVDLDZBAGLX-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.30
Rot. Bonds5

About 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide

2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 71888202) has the molecular formula C14H9F3N2O3S2 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID71888202
Molecular FormulaC14H9F3N2O3S2
Molecular Weight374.37 g/mol
Exact Mass374.00
IUPAC Name2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1coc(-c2cccs2)n1)c1c(F)cc(F)cc1F
InChIInChI=1S/C14H9F3N2O3S2/c15-8-4-10(16)13(11(17)5-8)24(20,21)18-6-9-7-22-14(19-9)12-2-1-3-23-12/h1-5,7,18H,6H2
InChIKeyBAFSVDLDZBAGLX-UHFFFAOYSA-N
XLogP3.30
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 133370918
1-(2,4-difluorophenyl)-N-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 134001654
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
CID 17396831
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
N'-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 62686633
5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]furan-2-carboxamide
CID 29320925
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
CID 97236392

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 71888202) is 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1coc(-c2cccs2)n1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is BAFSVDLDZBAGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3S2/c15-8-4-10(16)13(11(17)5-8)24(20,21)18-6-9-7-22-14(19-9)12-2-1-3-23-12/h1-5,7,18H,6H2.
What are the key properties of 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 374.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71888202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).