N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide

C18H18F2N2O3S — CID 53166809

IUPACN-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCc1cc(N2CCC(NS(=O)(=O)Cc3cccc(F)c3)C2=O)ccc1F
InChIInChI=1S/C18H18F2N2O3S/c1-12-9-15(5-6-16(12)20)22-8-7-17(18(22)23)21-26(24,25)11-13-3-2-4-14(19)10-13/h2-6,9-10,17,21H,7-8,11H2,1H3
InChIKeyBRFWCEJOIBQGPT-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.50
Rot. Bonds5

About N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide

N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 53166809) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID53166809
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide
SMILESCc1cc(N2CCC(NS(=O)(=O)Cc3cccc(F)c3)C2=O)ccc1F
InChIInChI=1S/C18H18F2N2O3S/c1-12-9-15(5-6-16(12)20)22-8-7-17(18(22)23)21-26(24,25)11-13-3-2-4-14(19)10-13/h2-6,9-10,17,21H,7-8,11H2,1H3
InChIKeyBRFWCEJOIBQGPT-UHFFFAOYSA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N-[(3S)-1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]methanesulfonamide
CID 95101521
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 71838496
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838498
1-(3-fluoro-2-methylphenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838705
2,5-difluoro-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95255063
methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate
CID 10451017
1-(3-chloro-2-fluorophenyl)-3-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838702
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71835736
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide
CID 90595560

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide (CID 53166809) is N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide is Cc1cc(N2CCC(NS(=O)(=O)Cc3cccc(F)c3)C2=O)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is BRFWCEJOIBQGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-12-9-15(5-6-16(12)20)22-8-7-17(18(22)23)21-26(24,25)11-13-3-2-4-14(19)10-13/h2-6,9-10,17,21H,7-8,11H2,1H3.
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide?
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 53166809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).