N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C19H20N2O6S — CID 7564634

IUPACN-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cccc(N2C[C@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)CC2=O)c1
InChIInChI=1S/C19H20N2O6S/c1-25-15-4-2-3-14(10-15)21-12-13(9-19(21)22)20-28(23,24)16-5-6-17-18(11-16)27-8-7-26-17/h2-6,10-11,13,20H,7-9,12H2,1H3/t13-/m1/s1
InChIKeyOFUNOVZRCWHGOL-CYBMUJFWSA-N
MW404.44 g/mol
LogP1.55
Rot. Bonds5

About N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 7564634) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID7564634
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC NameN-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cccc(N2C[C@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)CC2=O)c1
InChIInChI=1S/C19H20N2O6S/c1-25-15-4-2-3-14(10-15)21-12-13(9-19(21)22)20-28(23,24)16-5-6-17-18(11-16)27-8-7-26-17/h2-6,10-11,13,20H,7-9,12H2,1H3/t13-/m1/s1
InChIKeyOFUNOVZRCWHGOL-CYBMUJFWSA-N
XLogP1.55
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26918874
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7564780
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43971438
4-fluoro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564615
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 16829572
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 7564631
3,4-dimethoxy-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzenesulfonamide
CID 16829562
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388317
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255153
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43054001

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 7564634) is N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1cccc(N2C[C@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)CC2=O)c1.
What is the InChIKey of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is OFUNOVZRCWHGOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-25-15-4-2-3-14(10-15)21-12-13(9-19(21)22)20-28(23,24)16-5-6-17-18(11-16)27-8-7-26-17/h2-6,10-11,13,20H,7-9,12H2,1H3/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 404.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 7564634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).