5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide

C17H21N3O3S — CID 2993264

IUPAC5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C17H21N3O3S/c1-4-20(5-2)24(22,23)15-9-8-13(3)16(11-15)17(21)19-14-7-6-10-18-12-14/h6-12H,4-5H2,1-3H3,(H,19,21)
InChIKeyVUKCLIRADIGSFH-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.67
Rot. Bonds6

About 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide

5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 2993264) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID2993264
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C17H21N3O3S/c1-4-20(5-2)24(22,23)15-9-8-13(3)16(11-15)17(21)19-14-7-6-10-18-12-14/h6-12H,4-5H2,1-3H3,(H,19,21)
InChIKeyVUKCLIRADIGSFH-UHFFFAOYSA-N
XLogP2.67
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171
5-(azepan-1-ylsulfonyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 6473087
1-[[5-(diethylsulfamoyl)-2-pyridinyl]amino]-3-pyridin-3-ylurea
CID 18104092
N-(4-carbamoyl-3-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 56518335
5-(diethylsulfamoyl)-2-methyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811834
N-(1-benzylpyrazol-4-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 60552677
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
5-(diethylsulfamoyl)-N-(2-methoxyphenyl)-2-methylbenzamide
CID 2994373
N-(2-butan-2-ylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 78778551
N-(2-bromo-4-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 26524150

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide (CID 2993264) is 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is VUKCLIRADIGSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-20(5-2)24(22,23)15-9-8-13(3)16(11-15)17(21)19-14-7-6-10-18-12-14/h6-12H,4-5H2,1-3H3,(H,19,21).
What are the key properties of 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide?
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 347.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 2993264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).