N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H14F3NO5S2 — CID 100689408

IUPACN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC[C@@](O)(c1ccco1)c1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO5S2/c18-17(19,20)26-12-5-7-13(8-6-12)28(23,24)21-11-16(22,14-3-1-9-25-14)15-4-2-10-27-15/h1-10,21-22H,11H2/t16-/m1/s1
InChIKeyORFZSQGFZFVTRG-MRXNPFEDSA-N
MW433.43 g/mol
LogP3.45
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 100689408) has the molecular formula C17H14F3NO5S2 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID100689408
Molecular FormulaC17H14F3NO5S2
Molecular Weight433.43 g/mol
Exact Mass433.03
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC[C@@](O)(c1ccco1)c1cccs1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3NO5S2/c18-17(19,20)26-12-5-7-13(8-6-12)28(23,24)21-11-16(22,14-3-1-9-25-14)15-4-2-10-27-15/h1-10,21-22H,11H2/t16-/m1/s1
InChIKeyORFZSQGFZFVTRG-MRXNPFEDSA-N
XLogP3.45
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-phenylethenesulfonamide
CID 117054904
N-(thiophen-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3247487
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 100689543
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 121170241
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-(trifluoromethyl)benzenesulfonamide
CID 95983765
4-ethoxy-N-[2-(furan-2-yl)-2-hydroxypropyl]benzenesulfonamide
CID 121085972
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 100688916
N-(3-hydroxy-3-thiophen-2-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71787868
N-[(5-thiophen-2-ylfuran-2-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 122264443
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 124891780
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 129416791

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 100689408) is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC[C@@](O)(c1ccco1)c1cccs1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is ORFZSQGFZFVTRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14F3NO5S2/c18-17(19,20)26-12-5-7-13(8-6-12)28(23,24)21-11-16(22,14-3-1-9-25-14)15-4-2-10-27-15/h1-10,21-22H,11H2/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 433.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 100689408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).