(5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

C15H18FN3O4S — CID 9369465

IUPAC(5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)N1
InChIInChI=1S/C15H18FN3O4S/c16-11-2-1-3-12(10-11)24(22,23)19-8-6-18(7-9-19)15(21)13-4-5-14(20)17-13/h1-3,10,13H,4-9H2,(H,17,20)/t13-/m1/s1
InChIKeyXVVCPHGBHQWJEL-CYBMUJFWSA-N
MW355.39 g/mol
LogP-0.06
Rot. Bonds3

About (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9369465) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID9369465
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name(5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)N1
InChIInChI=1S/C15H18FN3O4S/c16-11-2-1-3-12(10-11)24(22,23)19-8-6-18(7-9-19)15(21)13-4-5-14(20)17-13/h1-3,10,13H,4-9H2,(H,17,20)/t13-/m1/s1
InChIKeyXVVCPHGBHQWJEL-CYBMUJFWSA-N
XLogP-0.06
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 9299449
5-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42908208
5-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110809733
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24981880
(5R)-5-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9496421
1-benzyl-4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42997236
5-[4-(2-chlorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 138808945
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 8008010
2,3-dihydro-1-benzofuran-2-yl-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 18090227
(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
1-(2-ethylphenyl)-4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 42909140

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (CID 9369465) is (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)N1.
What is the InChIKey of (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XVVCPHGBHQWJEL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c16-11-2-1-3-12(10-11)24(22,23)19-8-6-18(7-9-19)15(21)13-4-5-14(20)17-13/h1-3,10,13H,4-9H2,(H,17,20)/t13-/m1/s1.
What are the key properties of (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 355.39 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9369465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).