N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C19H19F3N2O4S — CID 40911948

IUPACN-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C19H19F3N2O4S/c1-28-16-7-5-15(6-8-16)24-12-13(9-18(24)25)11-23-29(26,27)17-4-2-3-14(10-17)19(20,21)22/h2-8,10,13,23H,9,11-12H2,1H3/t13-/m1/s1
InChIKeyJHGAKRLEDXQMMC-CYBMUJFWSA-N
MW428.43 g/mol
LogP3.05
Rot. Bonds6

About N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 40911948) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID40911948
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC NameN-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1
InChIInChI=1S/C19H19F3N2O4S/c1-28-16-7-5-15(6-8-16)24-12-13(9-18(24)25)11-23-29(26,27)17-4-2-3-14(10-17)19(20,21)22/h2-8,10,13,23H,9,11-12H2,1H3/t13-/m1/s1
InChIKeyJHGAKRLEDXQMMC-CYBMUJFWSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40912181
4-methoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919759
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 16919719
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 40911982
N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 16919591
3-chloro-N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40912077
N-[[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 40911892
N-[4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methylsulfamoyl]phenyl]acetamide
CID 16919601
2,4-difluoro-N-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919615
3-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919694
N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40912055
4-methoxy-3-methyl-N-[[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911748

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 40911948) is N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is COc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2=O)cc1.
What is the InChIKey of N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is JHGAKRLEDXQMMC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-28-16-7-5-15(6-8-16)24-12-13(9-18(24)25)11-23-29(26,27)17-4-2-3-14(10-17)19(20,21)22/h2-8,10,13,23H,9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 428.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 40911948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).