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

C11H16N4O3S — CID 106183085

IUPAC2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CNC(=O)C2)cc1N
InChIInChI=1S/C11H16N4O3S/c1-13-19(17,18)10-3-2-7(4-9(10)12)15-8-5-11(16)14-6-8/h2-4,8,13,15H,5-6,12H2,1H3,(H,14,16)
InChIKeyGSJAVMVFJXEIMX-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.52
Rot. Bonds4

About 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide

2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide (PubChem CID 106183085) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
PubChem CID106183085
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CNC(=O)C2)cc1N
InChIInChI=1S/C11H16N4O3S/c1-13-19(17,18)10-3-2-7(4-9(10)12)15-8-5-11(16)14-6-8/h2-4,8,13,15H,5-6,12H2,1H3,(H,14,16)
InChIKeyGSJAVMVFJXEIMX-UHFFFAOYSA-N
XLogP-0.52
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide (CID 106183085) is 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CNC(=O)C2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The InChIKey is GSJAVMVFJXEIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-13-19(17,18)10-3-2-7(4-9(10)12)15-8-5-11(16)14-6-8/h2-4,8,13,15H,5-6,12H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide has a molecular weight of 284.34 g/mol, XLogP of -0.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 106183085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).