N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

C21H20N2O4S — CID 16829583

IUPACN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCOc1ccc(N2CC(NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1
InChIInChI=1S/C21H20N2O4S/c1-27-19-9-7-18(8-10-19)23-14-17(13-21(23)24)22-28(25,26)20-11-6-15-4-2-3-5-16(15)12-20/h2-12,17,22H,13-14H2,1H3
InChIKeyIOWUDJQOZKRGON-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide

N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (PubChem CID 16829583) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
PubChem CID16829583
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
SMILESCOc1ccc(N2CC(NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1
InChIInChI=1S/C21H20N2O4S/c1-27-19-9-7-18(8-10-19)23-14-17(13-21(23)24)22-28(25,26)20-11-6-15-4-2-3-5-16(15)12-20/h2-12,17,22H,13-14H2,1H3
InChIKeyIOWUDJQOZKRGON-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide (CID 16829583) is N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is COc1ccc(N2CC(NS(=O)(=O)c3ccc4ccccc4c3)CC2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
The InChIKey is IOWUDJQOZKRGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-27-19-9-7-18(8-10-19)23-14-17(13-21(23)24)22-28(25,26)20-11-6-15-4-2-3-5-16(15)12-20/h2-12,17,22H,13-14H2,1H3.
What are the key properties of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide?
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide has a molecular weight of 396.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 16829583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).