N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide

C19H24N2O3S — CID 109062590

IUPACN-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C19H24N2O3S/c1-4-5-11-20-19(22)16-7-6-8-17(13-16)25(23,24)21-18-12-14(2)9-10-15(18)3/h6-10,12-13,21H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyRFNQUNIKSLFWTH-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.63
Rot. Bonds7

About N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide

N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 109062590) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
PubChem CID109062590
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C19H24N2O3S/c1-4-5-11-20-19(22)16-7-6-8-17(13-16)25(23,24)21-18-12-14(2)9-10-15(18)3/h6-10,12-13,21H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyRFNQUNIKSLFWTH-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

N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 109062606
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
CID 109062045
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412
N-butyl-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 18106251
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064483
3-[(2,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109065673
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
methyl 4-[[3-(butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109062626
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide (CID 109062590) is N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide is CCCCNC(=O)c1cccc(S(=O)(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is RFNQUNIKSLFWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-5-11-20-19(22)16-7-6-8-17(13-16)25(23,24)21-18-12-14(2)9-10-15(18)3/h6-10,12-13,21H,4-5,11H2,1-3H3,(H,20,22).
What are the key properties of N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide?
N-butyl-3-[(2,5-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-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109062590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).