1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide

C11H13N3O6S — CID 168717383

IUPAC1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H13N3O6S/c1-20-10-4-7(14(16)17)2-3-9(10)13-6-8(5-11(13)15)21(12,18)19/h2-4,8H,5-6H2,1H3,(H2,12,18,19)
InChIKeySBNJJAFDGARKJQ-UHFFFAOYSA-N
MW315.31 g/mol
LogP-0.00
Rot. Bonds4

About 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide

1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717383) has the molecular formula C11H13N3O6S and a molecular weight of 315.31 g/mol. Its IUPAC name is 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717383
Molecular FormulaC11H13N3O6S
Molecular Weight315.31 g/mol
Exact Mass315.05
IUPAC Name1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCOc1cc([N+](=O)[O-])ccc1N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C11H13N3O6S/c1-20-10-4-7(14(16)17)2-3-9(10)13-6-8(5-11(13)15)21(12,18)19/h2-4,8H,5-6H2,1H3,(H2,12,18,19)
InChIKeySBNJJAFDGARKJQ-UHFFFAOYSA-N
XLogP-0.00
TPSA132.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717376
4-ethynyl-1-(2-methoxy-4-nitrophenyl)pyrrolidin-2-one
CID 168500823
1-(4-bromo-5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717371
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717358
4-nitro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoic acid
CID 168718684
1-(4,5-dimethoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717594
1-(4-bromo-2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717626
1-(2-amino-5-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715645
1-(4-bromo-5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717353
(3R)-N-(3,5-dimethylphenyl)-1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056606
1-(4-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717379

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717383) is 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide is COc1cc([N+](=O)[O-])ccc1N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is SBNJJAFDGARKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6S/c1-20-10-4-7(14(16)17)2-3-9(10)13-6-8(5-11(13)15)21(12,18)19/h2-4,8H,5-6H2,1H3,(H2,12,18,19).
What are the key properties of 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 315.31 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).