N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide

C18H19FN2O3S — CID 7564572

IUPACN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
SMILESCc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1C
InChIInChI=1S/C18H19FN2O3S/c1-12-3-6-16(9-13(12)2)21-11-15(10-18(21)22)20-25(23,24)17-7-4-14(19)5-8-17/h3-9,15,20H,10-11H2,1-2H3/t15-/m0/s1
InChIKeyZMJGJMQADUUHLU-HNNXBMFYSA-N
MW362.43 g/mol
LogP2.53
Rot. Bonds4

About N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide

N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 7564572) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
PubChem CID7564572
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
SMILESCc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1C
InChIInChI=1S/C18H19FN2O3S/c1-12-3-6-16(9-13(12)2)21-11-15(10-18(21)22)20-25(23,24)17-7-4-14(19)5-8-17/h3-9,15,20H,10-11H2,1-2H3/t15-/m0/s1
InChIKeyZMJGJMQADUUHLU-HNNXBMFYSA-N
XLogP2.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide (CID 7564572) is N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide is Cc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc(F)cc3)CC2=O)cc1C.
What is the InChIKey of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide?
The InChIKey is ZMJGJMQADUUHLU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-3-6-16(9-13(12)2)21-11-15(10-18(21)22)20-25(23,24)17-7-4-14(19)5-8-17/h3-9,15,20H,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide?
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide has a molecular weight of 362.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 7564572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).