[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium

C21H20N3O4S+ — CID 170977181

IUPAC[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
SMILESC[N+](=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O4S/c1-24(26)19-11-6-10-18(14-19)23-21(25)17-9-5-12-20(13-17)29(27,28)22-15-16-7-3-2-4-8-16/h2-14,22H,15H2,1H3/p+1
InChIKeyGCTDQCKRZUMKAK-UHFFFAOYSA-O
MW410.48 g/mol
LogP3.46
Rot. Bonds7

About [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium

[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium (PubChem CID 170977181) has the molecular formula C21H20N3O4S+ and a molecular weight of 410.48 g/mol. Its IUPAC name is [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium.

Molecular Properties

Compound Name[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
PubChem CID170977181
Molecular FormulaC21H20N3O4S+
Molecular Weight410.48 g/mol
Exact Mass410.12
IUPAC Name[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium
SMILESC[N+](=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O4S/c1-24(26)19-11-6-10-18(14-19)23-21(25)17-9-5-12-20(13-17)29(27,28)22-15-16-7-3-2-4-8-16/h2-14,22H,15H2,1H3/p+1
InChIKeyGCTDQCKRZUMKAK-UHFFFAOYSA-O
XLogP3.46
TPSA95.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium 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

3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
3-(benzylsulfamoyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]benzamide
CID 55948834
3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 17424041
N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-(benzylsulfamoyl)-N-(2-chloro-4-methylphenyl)benzamide
CID 26637708
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
N-[4-(benzylsulfamoyl)phenyl]-3,5-dinitrobenzamide
CID 4928896

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium?
The IUPAC name of [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium (CID 170977181) is [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium.
What is the SMILES notation for [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium?
The canonical SMILES for [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium is C[N+](=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium?
The InChIKey is GCTDQCKRZUMKAK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H19N3O4S/c1-24(26)19-11-6-10-18(14-19)23-21(25)17-9-5-12-20(13-17)29(27,28)22-15-16-7-3-2-4-8-16/h2-14,22H,15H2,1H3/p+1.
What are the key properties of [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium?
[3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium has a molecular weight of 410.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(benzylsulfamoyl)benzoyl]amino]phenyl]-methyl-oxoazanium is sourced from PubChem (CID 170977181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).