4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide

C13H20N4O3S — CID 106251745

IUPAC4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCN1CCC(Nc2cc(S(=O)(=O)N(C)C)ccc2N)C1=O
InChIInChI=1S/C13H20N4O3S/c1-16(2)21(19,20)9-4-5-10(14)12(8-9)15-11-6-7-17(3)13(11)18/h4-5,8,11,15H,6-7,14H2,1-3H3
InChIKeyIEXQZUFPDXLGCR-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.16
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide

4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide (PubChem CID 106251745) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
PubChem CID106251745
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCN1CCC(Nc2cc(S(=O)(=O)N(C)C)ccc2N)C1=O
InChIInChI=1S/C13H20N4O3S/c1-16(2)21(19,20)9-4-5-10(14)12(8-9)15-11-6-7-17(3)13(11)18/h4-5,8,11,15H,6-7,14H2,1-3H3
InChIKeyIEXQZUFPDXLGCR-UHFFFAOYSA-N
XLogP0.16
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-nitroanilino)-1-methylpyrrolidin-2-one
CID 106251715
4-amino-3-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82898396
5-amino-N-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106252171
3-(4-amino-2-chloroanilino)-1-methylpyrrolidin-2-one
CID 106251681
3-(3-amino-2-nitroanilino)-1-methylpyrrolidin-2-one
CID 106258667
1-methyl-3-(2-methylsulfonylanilino)pyrrolidin-2-one
CID 106258032
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
3-(4-amino-3-methoxyanilino)-1-methylpyrrolidin-2-one
CID 106252196
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N,N-dimethylbenzenesulfonamide
CID 82898104
3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 63277953
2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 114165297
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide (CID 106251745) is 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide is CN1CCC(Nc2cc(S(=O)(=O)N(C)C)ccc2N)C1=O.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
The InChIKey is IEXQZUFPDXLGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-16(2)21(19,20)9-4-5-10(14)12(8-9)15-11-6-7-17(3)13(11)18/h4-5,8,11,15H,6-7,14H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide?
4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 106251745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).