N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide

C19H24N2O3S — CID 9414249

IUPACN-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-5-13-20-19(22)16-9-11-17(12-10-16)25(23,24)21-18-8-6-7-14(2)15(18)3/h6-12,21H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyAZEOIGACWQRIIG-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.63
Rot. Bonds7

About N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide

N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 9414249) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
PubChem CID9414249
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-4-5-13-20-19(22)16-9-11-17(12-10-16)25(23,24)21-18-8-6-7-14(2)15(18)3/h6-12,21H,4-5,13H2,1-3H3,(H,20,22)
InChIKeyAZEOIGACWQRIIG-UHFFFAOYSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
CID 9315050
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
1-N-butyl-4-N-(2,3-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109043741
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27040602
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
5-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]pentanoic acid
CID 119234754
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 112770782
methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 55348950
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223202
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574259
N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide (CID 9414249) is N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide is CCCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is AZEOIGACWQRIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-5-13-20-19(22)16-9-11-17(12-10-16)25(23,24)21-18-8-6-7-14(2)15(18)3/h6-12,21H,4-5,13H2,1-3H3,(H,20,22).
What are the key properties of N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide?
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 9414249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).