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

C18H18F2N2O3S — CID 71838507

IUPACN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide
SMILESCc1cc(C)cc(N2CCC(NS(=O)(=O)c3cc(F)cc(F)c3)C2=O)c1
InChIInChI=1S/C18H18F2N2O3S/c1-11-5-12(2)7-15(6-11)22-4-3-17(18(22)23)21-26(24,25)16-9-13(19)8-14(20)10-16/h5-10,17,21H,3-4H2,1-2H3
InChIKeyJRULJNACJUXRAF-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.67
Rot. Bonds4

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

N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide (PubChem CID 71838507) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide
PubChem CID71838507
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide
SMILESCc1cc(C)cc(N2CCC(NS(=O)(=O)c3cc(F)cc(F)c3)C2=O)c1
InChIInChI=1S/C18H18F2N2O3S/c1-11-5-12(2)7-15(6-11)22-4-3-17(18(22)23)21-26(24,25)16-9-13(19)8-14(20)10-16/h5-10,17,21H,3-4H2,1-2H3
InChIKeyJRULJNACJUXRAF-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.67
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
4-acetyl-N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71838509
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 71838519
3,4-difluoro-N-[(3R)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 95101488
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838498
3-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71838569
N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 95101484
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 71838496
2-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-6-methylbenzenesulfonamide
CID 71838586
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
CID 53014861
2,3-difluoro-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 126796000
3-amino-5-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250336

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide (CID 71838507) is N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide is Cc1cc(C)cc(N2CCC(NS(=O)(=O)c3cc(F)cc(F)c3)C2=O)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide?
The InChIKey is JRULJNACJUXRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-11-5-12(2)7-15(6-11)22-4-3-17(18(22)23)21-26(24,25)16-9-13(19)8-14(20)10-16/h5-10,17,21H,3-4H2,1-2H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide?
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3,5-difluorobenzenesulfonamide has a molecular weight of 380.42 g/mol, XLogP of 2.67, 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]-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 71838507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).