[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium

C19H26N3O3S+ — CID 9194509

IUPAC[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-21(2)14-16-7-5-15(6-8-16)13-20-19(23)17-9-11-18(12-10-17)26(24,25)22(3)4/h5-12H,13-14H2,1-4H3,(H,20,23)/p+1
InChIKeySQWYRGXMSBHOTQ-UHFFFAOYSA-O
MW376.50 g/mol
LogP0.51
Rot. Bonds7

About [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium

[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9194509) has the molecular formula C19H26N3O3S+ and a molecular weight of 376.50 g/mol. Its IUPAC name is [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9194509
Molecular FormulaC19H26N3O3S+
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC Name[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-21(2)14-16-7-5-15(6-8-16)13-20-19(23)17-9-11-18(12-10-17)26(24,25)22(3)4/h5-12H,13-14H2,1-4H3,(H,20,23)/p+1
InChIKeySQWYRGXMSBHOTQ-UHFFFAOYSA-O
XLogP0.51
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(5-methyltetrazol-1-yl)benzamide
CID 46974468
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194
[4-[[[3-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8947695
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 9073364

Frequently Asked Questions

What is the IUPAC name of [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium (CID 9194509) is [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium is CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1.
What is the InChIKey of [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is SQWYRGXMSBHOTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N3O3S/c1-21(2)14-16-7-5-15(6-8-16)13-20-19(23)17-9-11-18(12-10-17)26(24,25)22(3)4/h5-12H,13-14H2,1-4H3,(H,20,23)/p+1.
What are the key properties of [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium?
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 376.50 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9194509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).