3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide

C13H15F3N2O4S — CID 154871298

IUPAC3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCN1C(=O)CCC1CNS(=O)(=O)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O4S/c1-18-9(2-3-12(18)20)7-17-23(21,22)11-5-8(13(14,15)16)4-10(19)6-11/h4-6,9,17,19H,2-3,7H2,1H3
InChIKeyQXRFQBQSASIRNN-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.31
Rot. Bonds4

About 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide

3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 154871298) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID154871298
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESCN1C(=O)CCC1CNS(=O)(=O)c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O4S/c1-18-9(2-3-12(18)20)7-17-23(21,22)11-5-8(13(14,15)16)4-10(19)6-11/h4-6,9,17,19H,2-3,7H2,1H3
InChIKeyQXRFQBQSASIRNN-UHFFFAOYSA-N
XLogP1.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 165368807
N-[2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 2804037
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
3-(3,3-difluoroazetidin-1-yl)sulfonyl-5-(trifluoromethyl)phenol
CID 165368796
(5S)-5-(ethylaminomethyl)-1-methylpyrrolidin-2-one
CID 146339666
5-[[[1-[2-hydroxy-4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]amino]methyl]-1-methylpyrrolidin-2-one
CID 171830893
N-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-3,5-bis(trifluoromethyl)benzenesulfonamide;methanol
CID 171100231
3-hydroxy-N-(1-propan-2-ylpyrazol-3-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 127267166
N-[2-(dimethylamino)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 8716782
N-[2-(6-oxopyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 42226776
N-[(1-hydroxy-2-oxopyrrolidin-3-yl)methyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 162578812
4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]piperidine-1-carboxylate
CID 152770738

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide (CID 154871298) is 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide is CN1C(=O)CCC1CNS(=O)(=O)c1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QXRFQBQSASIRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c1-18-9(2-3-12(18)20)7-17-23(21,22)11-5-8(13(14,15)16)4-10(19)6-11/h4-6,9,17,19H,2-3,7H2,1H3.
What are the key properties of 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide?
3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 352.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 154871298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).