3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide

C18H22N2O3S — CID 789345

IUPAC3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-4-20(5-2)24(22,23)17-11-7-9-15(13-17)18(21)19-16-10-6-8-14(3)12-16/h6-13H,4-5H2,1-3H3,(H,19,21)
InChIKeyFBJCXKAVVOFVQB-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.28
Rot. Bonds6

About 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide

3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide (PubChem CID 789345) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide
PubChem CID789345
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-4-20(5-2)24(22,23)17-11-7-9-15(13-17)18(21)19-16-10-6-8-14(3)12-16/h6-13H,4-5H2,1-3H3,(H,19,21)
InChIKeyFBJCXKAVVOFVQB-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide (CID 789345) is 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide?
The InChIKey is FBJCXKAVVOFVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-20(5-2)24(22,23)17-11-7-9-15(13-17)18(21)19-16-10-6-8-14(3)12-16/h6-13H,4-5H2,1-3H3,(H,19,21).
What are the key properties of 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide?
3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 789345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).