N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide

C19H22N2O5S — CID 1092928

IUPACN-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-6-4-15(5-7-16)20-27(23,24)18-10-8-17(9-11-18)26-14-19(22)21-12-2-3-13-21/h4-11,20H,2-3,12-14H2,1H3
InChIKeyWMWCJCGJVOKQOF-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.50
Rot. Bonds7

About N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide

N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide (PubChem CID 1092928) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
PubChem CID1092928
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-6-4-15(5-7-16)20-27(23,24)18-10-8-17(9-11-18)26-14-19(22)21-12-2-3-13-21/h4-11,20H,2-3,12-14H2,1H3
InChIKeyWMWCJCGJVOKQOF-UHFFFAOYSA-N
XLogP2.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide (CID 1092928) is N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The InChIKey is WMWCJCGJVOKQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-16-6-4-15(5-7-16)20-27(23,24)18-10-8-17(9-11-18)26-14-19(22)21-12-2-3-13-21/h4-11,20H,2-3,12-14H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 1092928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).