N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide

C23H26FN3O4S — CID 26370534

IUPACN-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide
SMILESCCN(C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26FN3O4S/c1-2-26(32(30,31)20-6-4-3-5-7-20)18-12-14-25(15-13-18)21-16-22(28)27(23(21)29)19-10-8-17(24)9-11-19/h3-11,18,21H,2,12-16H2,1H3/t21-/m0/s1
InChIKeyHOCYDYBNQTYCGN-NRFANRHFSA-N
MW459.54 g/mol
LogP2.63
Rot. Bonds6

About N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide

N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide (PubChem CID 26370534) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide
PubChem CID26370534
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC NameN-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide
SMILESCCN(C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26FN3O4S/c1-2-26(32(30,31)20-6-4-3-5-7-20)18-12-14-25(15-13-18)21-16-22(28)27(23(21)29)19-10-8-17(24)9-11-19/h3-11,18,21H,2,12-16H2,1H3/t21-/m0/s1
InChIKeyHOCYDYBNQTYCGN-NRFANRHFSA-N
XLogP2.63
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]piperidine-1-sulfonamide
CID 16766499
(3S)-1-(4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358155
(3R)-1-(4-fluorophenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 98307802
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
(3R)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282119
(3S)-1-(4-fluorophenyl)-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 1282118
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
(3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 7357540
4-[3-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25036315
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 692158
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide (CID 26370534) is N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide is CCN(C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is HOCYDYBNQTYCGN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-2-26(32(30,31)20-6-4-3-5-7-20)18-12-14-25(15-13-18)21-16-22(28)27(23(21)29)19-10-8-17(24)9-11-19/h3-11,18,21H,2,12-16H2,1H3/t21-/m0/s1.
What are the key properties of N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide?
N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 459.54 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 26370534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).