N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide

C17H19F3N2O4S2 — CID 124876866

IUPACN-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H19F3N2O4S2/c18-17(19,20)26-15-3-1-2-4-16(15)28(23,24)21-11-14(13-5-8-25-12-13)22-6-9-27-10-7-22/h1-5,8,12,14,21H,6-7,9-11H2/t14-/m0/s1
InChIKeyQFDHYKGSELZNJD-AWEZNQCLSA-N
MW436.48 g/mol
LogP3.25
Rot. Bonds7

About N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 124876866) has the molecular formula C17H19F3N2O4S2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID124876866
Molecular FormulaC17H19F3N2O4S2
Molecular Weight436.48 g/mol
Exact Mass436.07
IUPAC NameN-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C17H19F3N2O4S2/c18-17(19,20)26-15-3-1-2-4-16(15)28(23,24)21-11-14(13-5-8-25-12-13)22-6-9-27-10-7-22/h1-5,8,12,14,21H,6-7,9-11H2/t14-/m0/s1
InChIKeyQFDHYKGSELZNJD-AWEZNQCLSA-N
XLogP3.25
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31065703
N-[2-[[2-(trifluoromethoxy)phenyl]sulfonylamino]ethyl]furan-3-carboxamide
CID 51125449
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
CID 124878348
3-(benzenesulfonyl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]propanamide
CID 124727763
N-(2-aminopropyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 63731279
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 124875852
N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 124878570
N-(2-hydroxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 43502048
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]furan-2-carboxamide
CID 124760075
N-[(2-fluorophenyl)methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 31068795
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124875632
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 124876866) is N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QFDHYKGSELZNJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19F3N2O4S2/c18-17(19,20)26-15-3-1-2-4-16(15)28(23,24)21-11-14(13-5-8-25-12-13)22-6-9-27-10-7-22/h1-5,8,12,14,21H,6-7,9-11H2/t14-/m0/s1.
What are the key properties of N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 436.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 124876866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).