N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H20N2O5S — CID 658276

IUPACN-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-14-7-10-17(25-2)16(12-14)19-26(22,23)15-8-5-13(6-9-15)20-11-3-4-18(20)21/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyDUIMJHGQWFVERX-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.63
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 658276) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID658276
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C18H20N2O5S/c1-24-14-7-10-17(25-2)16(12-14)19-26(22,23)15-8-5-13(6-9-15)20-11-3-4-18(20)21/h5-10,12,19H,3-4,11H2,1-2H3
InChIKeyDUIMJHGQWFVERX-UHFFFAOYSA-N
XLogP2.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 658276) is N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is DUIMJHGQWFVERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-24-14-7-10-17(25-2)16(12-14)19-26(22,23)15-8-5-13(6-9-15)20-11-3-4-18(20)21/h5-10,12,19H,3-4,11H2,1-2H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 658276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).