N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C16H12F3NO4S2 — CID 122264443

IUPACN-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2cccs2)o1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO4S2/c17-16(18,19)24-11-3-6-13(7-4-11)26(21,22)20-10-12-5-8-14(23-12)15-2-1-9-25-15/h1-9,20H,10H2
InChIKeyFPEJHQLPPDMIHI-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.39
Rot. Bonds6

About N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 122264443) has the molecular formula C16H12F3NO4S2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID122264443
Molecular FormulaC16H12F3NO4S2
Molecular Weight403.40 g/mol
Exact Mass403.02
IUPAC NameN-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2cccs2)o1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3NO4S2/c17-16(18,19)24-11-3-6-13(7-4-11)26(21,22)20-10-12-5-8-14(23-12)15-2-1-9-25-15/h1-9,20H,10H2
InChIKeyFPEJHQLPPDMIHI-UHFFFAOYSA-N
XLogP4.39
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propoxy-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264427
4-propan-2-yl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264401
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
2,5-difluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzenesulfonamide
CID 122264394
2-methoxy-5-[(5-thiophen-2-ylfuran-2-yl)methylsulfamoyl]benzamide
CID 122264461
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41247052
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 100689408
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322358
N-[(3,5-difluorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3258852

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 122264443) is N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1ccc(-c2cccs2)o1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is FPEJHQLPPDMIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO4S2/c17-16(18,19)24-11-3-6-13(7-4-11)26(21,22)20-10-12-5-8-14(23-12)15-2-1-9-25-15/h1-9,20H,10H2.
What are the key properties of N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 403.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 122264443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).