5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide

C12H18N4O3S — CID 106252171

IUPAC5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC1CCN(C)C1=O
InChIInChI=1S/C12H18N4O3S/c1-14-20(18,19)11-7-8(13)3-4-9(11)15-10-5-6-16(2)12(10)17/h3-4,7,10,14-15H,5-6,13H2,1-2H3
InChIKeyIXQRIJLFQBZAEB-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.18
Rot. Bonds4

About 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide

5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide (PubChem CID 106252171) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
PubChem CID106252171
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)ccc1NC1CCN(C)C1=O
InChIInChI=1S/C12H18N4O3S/c1-14-20(18,19)11-7-8(13)3-4-9(11)15-10-5-6-16(2)12(10)17/h3-4,7,10,14-15H,5-6,13H2,1-2H3
InChIKeyIXQRIJLFQBZAEB-UHFFFAOYSA-N
XLogP-0.18
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
CID 106251681
5-amino-2-(cyclobutylamino)-N-methylbenzenesulfonamide
CID 103286994
5-amino-2-chloro-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250243
1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one
CID 106258032
5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide
CID 103286939
4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106251745
5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 103287126
5-amino-N-methyl-2-(thian-3-ylamino)benzenesulfonamide
CID 103287438
3-(2-amino-4-nitroanilino)-1-methylpyrrolidin-2-one
CID 106251715
5-amino-N-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]benzenesulfonamide
CID 103287383
5-amino-N-methyl-2-[(2-methylcyclopropyl)methylamino]benzenesulfonamide
CID 103287354
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165256

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide (CID 106252171) is 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1cc(N)ccc1NC1CCN(C)C1=O.
What is the InChIKey of 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The InChIKey is IXQRIJLFQBZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-14-20(18,19)11-7-8(13)3-4-9(11)15-10-5-6-16(2)12(10)17/h3-4,7,10,14-15H,5-6,13H2,1-2H3.
What are the key properties of 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 106252171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).