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

C18H22N2O3S — CID 109062045

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-4-10-19-18(21)15-6-5-7-16(12-15)24(22,23)20-17-9-8-13(2)11-14(17)3/h5-9,11-12,20H,4,10H2,1-3H3,(H,19,21)
InChIKeyPNTHGRKLUVXBIF-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.24
Rot. Bonds6

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

3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide (PubChem CID 109062045) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
PubChem CID109062045
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-4-10-19-18(21)15-6-5-7-16(12-15)24(22,23)20-17-9-8-13(2)11-14(17)3/h5-9,11-12,20H,4,10H2,1-3H3,(H,19,21)
InChIKeyPNTHGRKLUVXBIF-UHFFFAOYSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 109062590
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
3-[(but-1-en-2-ylamino)carbamoyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 2692226
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763
N-butyl-3-[(5-chloro-2-methylphenyl)sulfamoyl]benzamide
CID 109062606
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
3-[(2,5-dimethylphenyl)sulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 109064483

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide (CID 109062045) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide is CCCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide?
The InChIKey is PNTHGRKLUVXBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-10-19-18(21)15-6-5-7-16(12-15)24(22,23)20-17-9-8-13(2)11-14(17)3/h5-9,11-12,20H,4,10H2,1-3H3,(H,19,21).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-propylbenzamide is sourced from PubChem (CID 109062045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).