N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H20N2O3S — CID 9268077

IUPACN-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-19(14-15-6-3-2-4-7-15)24(22,23)17-11-9-16(10-12-17)20-13-5-8-18(20)21/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyANNSXNWXNOPKOG-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.63
Rot. Bonds5

About N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 9268077) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID9268077
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-19(14-15-6-3-2-4-7-15)24(22,23)17-11-9-16(10-12-17)20-13-5-8-18(20)21/h2-4,6-7,9-12H,5,8,13-14H2,1H3
InChIKeyANNSXNWXNOPKOG-UHFFFAOYSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 9268077) is N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is ANNSXNWXNOPKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-19(14-15-6-3-2-4-7-15)24(22,23)17-11-9-16(10-12-17)20-13-5-8-18(20)21/h2-4,6-7,9-12H,5,8,13-14H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 9268077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).