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

C13H19N3O4S — CID 79959373

IUPAC5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NCC1CCC(=O)N1
InChIInChI=1S/C13H19N3O4S/c1-8-5-11(20-2)12(6-10(8)14)21(18,19)15-7-9-3-4-13(17)16-9/h5-6,9,15H,3-4,7,14H2,1-2H3,(H,16,17)
InChIKeyQGJSVSGRCVKOIT-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.14
Rot. Bonds5

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

5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide (PubChem CID 79959373) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
PubChem CID79959373
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NCC1CCC(=O)N1
InChIInChI=1S/C13H19N3O4S/c1-8-5-11(20-2)12(6-10(8)14)21(18,19)15-7-9-3-4-13(17)16-9/h5-6,9,15H,3-4,7,14H2,1-2H3,(H,16,17)
InChIKeyQGJSVSGRCVKOIT-UHFFFAOYSA-N
XLogP0.14
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.14
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

5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80594961
5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 79962057
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962260
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
5-[(3-amino-5-methylanilino)methyl]pyrrolidin-2-one
CID 112647859
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
5-amino-2-methoxy-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102694373
5-amino-N-[2-(diethylamino)ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79961695
5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974308
3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274875
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxy-4-methylbenzenesulfonamide
CID 107213489

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide (CID 79959373) is 5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)NCC1CCC(=O)N1.
What is the InChIKey of 5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is QGJSVSGRCVKOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-8-5-11(20-2)12(6-10(8)14)21(18,19)15-7-9-3-4-13(17)16-9/h5-6,9,15H,3-4,7,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide?
5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 79959373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).