N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide

C18H22N2O3S — CID 109061918

IUPACN-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-4-11-19-24(22,23)16-10-6-9-15(12-16)18(21)20-17-13(2)7-5-8-14(17)3/h5-10,12,19H,4,11H2,1-3H3,(H,20,21)
InChIKeyXKAVJNCRSUNSMZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.24
Rot. Bonds6

About N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide

N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide (PubChem CID 109061918) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
PubChem CID109061918
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C18H22N2O3S/c1-4-11-19-24(22,23)16-10-6-9-15(12-16)18(21)20-17-13(2)7-5-8-14(17)3/h5-10,12,19H,4,11H2,1-3H3,(H,20,21)
InChIKeyXKAVJNCRSUNSMZ-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-(2,6-dimethylphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065274
N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
CID 109061917
3-[2-(dimethylamino)ethylsulfamoyl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 109064018
N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 4789120
3-(propylsulfamoyl)benzoic acid
CID 2442822
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
CID 109061963
N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
CID 17484062
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
N-benzyl-3-(propylsulfamoyl)benzamide
CID 9393602
3-[(2,6-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065412

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide (CID 109061918) is N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide?
The InChIKey is XKAVJNCRSUNSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-11-19-24(22,23)16-10-6-9-15(12-16)18(21)20-17-13(2)7-5-8-14(17)3/h5-10,12,19H,4,11H2,1-3H3,(H,20,21).
What are the key properties of N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide?
N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide 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 N-(2,6-dimethylphenyl)-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 109061918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).