N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide

C18H19FN2O3S — CID 71838513

IUPACN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide
SMILESCc1cc(C)cc(N2CCC(NS(=O)(=O)c3ccccc3F)C2=O)c1
InChIInChI=1S/C18H19FN2O3S/c1-12-9-13(2)11-14(10-12)21-8-7-16(18(21)22)20-25(23,24)17-6-4-3-5-15(17)19/h3-6,9-11,16,20H,7-8H2,1-2H3
InChIKeyWNFCQXWVOXNHBB-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide

N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide (PubChem CID 71838513) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide
PubChem CID71838513
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide
SMILESCc1cc(C)cc(N2CCC(NS(=O)(=O)c3ccccc3F)C2=O)c1
InChIInChI=1S/C18H19FN2O3S/c1-12-9-13(2)11-14(10-12)21-8-7-16(18(21)22)20-25(23,24)17-6-4-3-5-15(17)19/h3-6,9-11,16,20H,7-8H2,1-2H3
InChIKeyWNFCQXWVOXNHBB-UHFFFAOYSA-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-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide (CID 71838513) is N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide is Cc1cc(C)cc(N2CCC(NS(=O)(=O)c3ccccc3F)C2=O)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide?
The InChIKey is WNFCQXWVOXNHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-9-13(2)11-14(10-12)21-8-7-16(18(21)22)20-25(23,24)17-6-4-3-5-15(17)19/h3-6,9-11,16,20H,7-8H2,1-2H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide?
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-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-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 71838513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).