1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene

C13H23N3O3S — CID 106053283

IUPAC1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C13H23N3O3S/c1-11-10-12(6-7-13(11)19-4)15-20(17,18)16(3)9-5-8-14-2/h6-7,10,14-15H,5,8-9H2,1-4H3
InChIKeyXFRGRKZLERTNNL-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.20
Rot. Bonds8

About 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene

1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (PubChem CID 106053283) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.

Molecular Properties

Compound Name1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
PubChem CID106053283
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
SMILESCNCCCN(C)S(=O)(=O)Nc1ccc(OC)c(C)c1
InChIInChI=1S/C13H23N3O3S/c1-11-10-12(6-7-13(11)19-4)15-20(17,18)16(3)9-5-8-14-2/h6-7,10,14-15H,5,8-9H2,1-4H3
InChIKeyXFRGRKZLERTNNL-UHFFFAOYSA-N
XLogP1.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106031237
2-bromo-1-fluoro-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
CID 106078274
1-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-4-methoxybenzene
CID 114132190
2-bromo-4-[[3-hydroxypropyl(methyl)sulfamoyl]amino]-1-methylbenzene
CID 114134965
2-ethoxy-1-methoxy-4-[[2-methoxyethyl(methyl)sulfamoyl]amino]benzene
CID 166240379
2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106039174
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methoxy-2-methylbenzene
CID 106056051
N-(3,4-dimethylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 4548442
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
3-[(4-chloro-3-methoxyphenyl)sulfamoyl-methylamino]propanoic acid
CID 107620926
N-(4-methoxy-3-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106053295

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The IUPAC name of 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene (CID 106053283) is 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene.
What is the SMILES notation for 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The canonical SMILES for 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is CNCCCN(C)S(=O)(=O)Nc1ccc(OC)c(C)c1.
What is the InChIKey of 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
The InChIKey is XFRGRKZLERTNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-11-10-12(6-7-13(11)19-4)15-20(17,18)16(3)9-5-8-14-2/h6-7,10,14-15H,5,8-9H2,1-4H3.
What are the key properties of 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene?
1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene has a molecular weight of 301.41 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene is sourced from PubChem (CID 106053283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).