4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide

C24H28FN3O4S — CID 23543681

IUPAC4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide
SMILESC[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1=O
InChIInChI=1S/C24H28FN3O4S/c1-17(23(29)27-14-3-2-4-15-27)28-16-13-22(24(28)30)26-33(31,32)21-11-7-19(8-12-21)18-5-9-20(25)10-6-18/h5-12,17,22,26H,2-4,13-16H2,1H3/t17-,22-/m0/s1
InChIKeyMOZXLTAAFPIRKJ-JTSKRJEESA-N
MW473.57 g/mol
LogP2.77
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide

4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 23543681) has the molecular formula C24H28FN3O4S and a molecular weight of 473.57 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide
PubChem CID23543681
Molecular FormulaC24H28FN3O4S
Molecular Weight473.57 g/mol
Exact Mass473.18
IUPAC Name4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide
SMILESC[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1=O
InChIInChI=1S/C24H28FN3O4S/c1-17(23(29)27-14-3-2-4-15-27)28-16-13-22(24(28)30)26-33(31,32)21-11-7-19(8-12-21)18-5-9-20(25)10-6-18/h5-12,17,22,26H,2-4,13-16H2,1H3/t17-,22-/m0/s1
InChIKeyMOZXLTAAFPIRKJ-JTSKRJEESA-N
XLogP2.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide (CID 23543681) is 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide is C[C@@H](C(=O)N1CCCCC1)N1CC[C@H](NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)C1=O.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is MOZXLTAAFPIRKJ-JTSKRJEESA-N. The full InChI is InChI=1S/C24H28FN3O4S/c1-17(23(29)27-14-3-2-4-15-27)28-16-13-22(24(28)30)26-33(31,32)21-11-7-19(8-12-21)18-5-9-20(25)10-6-18/h5-12,17,22,26H,2-4,13-16H2,1H3/t17-,22-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide?
4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 473.57 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 23543681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).