N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide

C18H19FN2O3S — CID 7564602

IUPACN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide
SMILESCc1ccc(N2C[C@H](NS(=O)(=O)c3ccccc3F)CC2=O)cc1C
InChIInChI=1S/C18H19FN2O3S/c1-12-7-8-15(9-13(12)2)21-11-14(10-18(21)22)20-25(23,24)17-6-4-3-5-16(17)19/h3-9,14,20H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyGBZSNUJRTUBUHM-CQSZACIVSA-N
MW362.43 g/mol
LogP2.53
Rot. Bonds4

About N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide

N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide (PubChem CID 7564602) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide
PubChem CID7564602
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide
SMILESCc1ccc(N2C[C@H](NS(=O)(=O)c3ccccc3F)CC2=O)cc1C
InChIInChI=1S/C18H19FN2O3S/c1-12-7-8-15(9-13(12)2)21-11-14(10-18(21)22)20-25(23,24)17-6-4-3-5-16(17)19/h3-9,14,20H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyGBZSNUJRTUBUHM-CQSZACIVSA-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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Related Compounds

(1S,2S)-1-(4-benzenesulfonamidophenyl)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxopropan-2-aminium
CID 23647694
Phenylalanine derived inhibitor, 8
CID 23647696
N-(2-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614339
2-[[4-(2-Oxopyrrolidin-1-yl)phenyl]sulfonylamino]-3-phenylpropanamide
CID 2973406
N,N-Diethyl-2-[(3-fluoro-benzenesulfonyl)-p-tolyl-amino]-acetamide
CID 44580809
N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372743
N~1~-(3,4-dimethylphenyl)-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 894117
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid (2,3-dimethyl-phenyl)-amide
CID 647845
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-benzenesulfonamide
CID 648839
4-fluoro-N-[4-(2-oxo-1-pyrrolidinyl)benzyl]benzenesulfonamide
CID 934461
N~2~-[(4-fluorophenyl)sulfonyl]-N~1~-(4-isopropylphenyl)glycinamide
CID 1314399
N,N-diethyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1725151

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide (CID 7564602) is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide is Cc1ccc(N2C[C@H](NS(=O)(=O)c3ccccc3F)CC2=O)cc1C.
What is the InChIKey of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide?
The InChIKey is GBZSNUJRTUBUHM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-7-8-15(9-13(12)2)21-11-14(10-18(21)22)20-25(23,24)17-6-4-3-5-16(17)19/h3-9,14,20H,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide?
N-[(3R)-1-(3,4-dimethylphenyl)-5-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-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 7564602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).