N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C18H20N2O4S — CID 2975521

IUPACN-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-6-2-13(3-7-16)11-20-25(22,23)17-8-4-14(5-9-17)15-10-18(21)19-12-15/h2-9,15,20H,10-12H2,1H3,(H,19,21)
InChIKeyGSSGKJSERKFSTO-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.78
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide

N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 2975521) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID2975521
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-6-2-13(3-7-16)11-20-25(22,23)17-8-4-14(5-9-17)15-10-18(21)19-12-15/h2-9,15,20H,10-12H2,1H3,(H,19,21)
InChIKeyGSSGKJSERKFSTO-UHFFFAOYSA-N
XLogP1.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 2975521) is N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is GSSGKJSERKFSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-16-6-2-13(3-7-16)11-20-25(22,23)17-8-4-14(5-9-17)15-10-18(21)19-12-15/h2-9,15,20H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 2975521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).