N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide

C17H16N2O5S — CID 46845618

IUPACN-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2C(=O)CCC2=O)cc1Oc1ccccc1
InChIInChI=1S/C17H16N2O5S/c1-25(22,23)18-14-8-7-12(19-16(20)9-10-17(19)21)11-15(14)24-13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3
InChIKeyNIZWAGVCNQPFJC-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.50
Rot. Bonds5

About N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide

N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide (PubChem CID 46845618) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide
PubChem CID46845618
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(N2C(=O)CCC2=O)cc1Oc1ccccc1
InChIInChI=1S/C17H16N2O5S/c1-25(22,23)18-14-8-7-12(19-16(20)9-10-17(19)21)11-15(14)24-13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3
InChIKeyNIZWAGVCNQPFJC-UHFFFAOYSA-N
XLogP2.50
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide (CID 46845618) is N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(N2C(=O)CCC2=O)cc1Oc1ccccc1.
What is the InChIKey of N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide?
The InChIKey is NIZWAGVCNQPFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-25(22,23)18-14-8-7-12(19-16(20)9-10-17(19)21)11-15(14)24-13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3.
What are the key properties of N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide?
N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide has a molecular weight of 360.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dioxopyrrolidin-1-yl)-2-phenoxyphenyl]methanesulfonamide is sourced from PubChem (CID 46845618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).