3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide

C15H17N3O3S — CID 35035772

IUPAC3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H17N3O3S/c1-11(2)18-22(20,21)13-7-5-6-12(10-13)15(19)17-14-8-3-4-9-16-14/h3-11,18H,1-2H3,(H,16,17,19)
InChIKeyZSHGXBCHOWOOFI-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.02
Rot. Bonds5

About 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide

3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide (PubChem CID 35035772) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
PubChem CID35035772
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H17N3O3S/c1-11(2)18-22(20,21)13-7-5-6-12(10-13)15(19)17-14-8-3-4-9-16-14/h3-11,18H,1-2H3,(H,16,17,19)
InChIKeyZSHGXBCHOWOOFI-UHFFFAOYSA-N
XLogP2.02
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-methyl-3-[[3-(pyridin-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 142738684
N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
CID 41273948
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 51194004
3-(propan-2-ylsulfamoyl)-N-[5-(1,2,4-triazol-1-yl)-2-pyridinyl]benzamide
CID 167885767
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
3-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylbenzamide
CID 1326475

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide (CID 35035772) is 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide?
The InChIKey is ZSHGXBCHOWOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11(2)18-22(20,21)13-7-5-6-12(10-13)15(19)17-14-8-3-4-9-16-14/h3-11,18H,1-2H3,(H,16,17,19).
What are the key properties of 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide?
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide has a molecular weight of 319.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 35035772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).