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

C19H21FN2O3S — CID 71838491

IUPACN-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ccc(F)c(C)c3)C2=O)c(C)c1
InChIInChI=1S/C19H21FN2O3S/c1-12-4-7-18(14(3)10-12)26(24,25)21-17-8-9-22(19(17)23)15-5-6-16(20)13(2)11-15/h4-7,10-11,17,21H,8-9H2,1-3H3
InChIKeyKJQFHGMQOQJGNN-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.83
Rot. Bonds4

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

N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide (PubChem CID 71838491) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide
PubChem CID71838491
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCN(c3ccc(F)c(C)c3)C2=O)c(C)c1
InChIInChI=1S/C19H21FN2O3S/c1-12-4-7-18(14(3)10-12)26(24,25)21-17-8-9-22(19(17)23)15-5-6-16(20)13(2)11-15/h4-7,10-11,17,21H,8-9H2,1-3H3
InChIKeyKJQFHGMQOQJGNN-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide (CID 71838491) is N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(F)c(C)c3)C2=O)c(C)c1.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is KJQFHGMQOQJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-12-4-7-18(14(3)10-12)26(24,25)21-17-8-9-22(19(17)23)15-5-6-16(20)13(2)11-15/h4-7,10-11,17,21H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide?
N-[1-(4-fluoro-3-methylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 2.83, 4 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]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 71838491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).