N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide

C17H18N2O4S — CID 2221777

IUPACN-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H18N2O4S/c1-12(20)13-6-4-8-15(10-13)18-17(21)14-7-5-9-16(11-14)24(22,23)19(2)3/h4-11H,1-3H3,(H,18,21)
InChIKeyRDMNGXBTPKTYSL-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.39
Rot. Bonds5

About N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide

N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 2221777) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide
PubChem CID2221777
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C17H18N2O4S/c1-12(20)13-6-4-8-15(10-13)18-17(21)14-7-5-9-16(11-14)24(22,23)19(2)3/h4-11H,1-3H3,(H,18,21)
InChIKeyRDMNGXBTPKTYSL-UHFFFAOYSA-N
XLogP2.39
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide (CID 2221777) is N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide is CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is RDMNGXBTPKTYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-12(20)13-6-4-8-15(10-13)18-17(21)14-7-5-9-16(11-14)24(22,23)19(2)3/h4-11H,1-3H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide?
N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 346.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2221777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).