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

C18H19FN2O4S — CID 71838498

IUPACN-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ccc(F)c(C)c3)C2=O)cc1
InChIInChI=1S/C18H19FN2O4S/c1-12-11-13(3-8-16(12)19)21-10-9-17(18(21)22)20-26(23,24)15-6-4-14(25-2)5-7-15/h3-8,11,17,20H,9-10H2,1-2H3
InChIKeyAYQLZGYKWFIAKM-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.23
Rot. Bonds5

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

N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (PubChem CID 71838498) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
PubChem CID71838498
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(c3ccc(F)c(C)c3)C2=O)cc1
InChIInChI=1S/C18H19FN2O4S/c1-12-11-13(3-8-16(12)19)21-10-9-17(18(21)22)20-26(23,24)15-6-4-14(25-2)5-7-15/h3-8,11,17,20H,9-10H2,1-2H3
InChIKeyAYQLZGYKWFIAKM-UHFFFAOYSA-N
XLogP2.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 71838496
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838569
N-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropanesulfonamide
CID 91911271
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-1-(3-fluorophenyl)methanesulfonamide
CID 53166809
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 71838519
1-(4-fluoro-3-methylphenyl)-3-(propylamino)pyrrolidin-2-one
CID 62812484
1-[(3S)-1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
CID 95101423
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide
CID 71838507
4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71838509
6-chloro-N-[1-[1-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 11569272
6-chloro-N-[(3S)-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 11950801

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide (CID 71838498) is N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(c3ccc(F)c(C)c3)C2=O)cc1.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
The InChIKey is AYQLZGYKWFIAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-12-11-13(3-8-16(12)19)21-10-9-17(18(21)22)20-26(23,24)15-6-4-14(25-2)5-7-15/h3-8,11,17,20H,9-10H2,1-2H3.
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide?
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide has a molecular weight of 378.43 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71838498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).