N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide

C18H22N2O3S — CID 109061917

IUPACN-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-4-8-19-24(22,23)17-7-5-6-15(12-17)18(21)20-16-10-13(2)9-14(3)11-16/h5-7,9-12,19H,4,8H2,1-3H3,(H,20,21)
InChIKeyWSTGYPBKYUFSET-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.24
Rot. Bonds6

About N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide

N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide (PubChem CID 109061917) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
PubChem CID109061917
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-4-8-19-24(22,23)17-7-5-6-15(12-17)18(21)20-16-10-13(2)9-14(3)11-16/h5-7,9-12,19H,4,8H2,1-3H3,(H,20,21)
InChIKeyWSTGYPBKYUFSET-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-(propylsulfamoyl)benzamide
CID 109061918
N-(4-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061946
methyl 3-[[3-(propylsulfamoyl)benzoyl]amino]benzoate
CID 109061963
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
3-(propylsulfamoyl)benzoic acid
CID 2442822
N-(4-fluoro-2-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 4789120
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
CID 17484062
3-(butylsulfamoyl)-N-(2,5-dimethylphenyl)benzamide
CID 17226677
N-(3-chloro-4-methylphenyl)-3-(pentylsulfamoyl)benzamide
CID 109065382
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
2-fluoro-N-(3-methylphenyl)-5-(propylsulfamoyl)benzamide
CID 5056641

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide (CID 109061917) is N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide?
The InChIKey is WSTGYPBKYUFSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-8-19-24(22,23)17-7-5-6-15(12-17)18(21)20-16-10-13(2)9-14(3)11-16/h5-7,9-12,19H,4,8H2,1-3H3,(H,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide?
N-(3,5-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-(3,5-dimethylphenyl)-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 109061917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).