N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C20H21F3N2O4S — CID 25331473

IUPACN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@H]1CCCO1
InChIInChI=1S/C20H21F3N2O4S/c1-13(18-6-3-11-29-18)24-19(26)14-7-9-17(10-8-14)30(27,28)25-16-5-2-4-15(12-16)20(21,22)23/h2,4-5,7-10,12-13,18,25H,3,6,11H2,1H3,(H,24,26)/t13-,18-/m1/s1
InChIKeyVLWSNLHDWWXUCK-FZKQIMNGSA-N
MW442.46 g/mol
LogP3.80
Rot. Bonds6

About N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 25331473) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID25331473
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC NameN-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@H]1CCCO1
InChIInChI=1S/C20H21F3N2O4S/c1-13(18-6-3-11-29-18)24-19(26)14-7-9-17(10-8-14)30(27,28)25-16-5-2-4-15(12-16)20(21,22)23/h2,4-5,7-10,12-13,18,25H,3,6,11H2,1H3,(H,24,26)/t13-,18-/m1/s1
InChIKeyVLWSNLHDWWXUCK-FZKQIMNGSA-N
XLogP3.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 25331473) is N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@H]1CCCO1.
What is the InChIKey of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is VLWSNLHDWWXUCK-FZKQIMNGSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c1-13(18-6-3-11-29-18)24-19(26)14-7-9-17(10-8-14)30(27,28)25-16-5-2-4-15(12-16)20(21,22)23/h2,4-5,7-10,12-13,18,25H,3,6,11H2,1H3,(H,24,26)/t13-,18-/m1/s1.
What are the key properties of N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 442.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 25331473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).