4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide

C16H19N3O3S — CID 33314267

IUPAC4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)19(3)23(21,22)15-8-6-13(7-9-15)16(20)18-14-5-4-10-17-11-14/h4-12H,1-3H3,(H,18,20)
InChIKeyBLWQGBFEBFPXGO-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.36
Rot. Bonds5

About 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide

4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide (PubChem CID 33314267) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
PubChem CID33314267
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)19(3)23(21,22)15-8-6-13(7-9-15)16(20)18-14-5-4-10-17-11-14/h4-12H,1-3H3,(H,18,20)
InChIKeyBLWQGBFEBFPXGO-UHFFFAOYSA-N
XLogP2.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-pyridin-3-ylbenzamide
CID 1242126
4-[methyl(propan-2-yl)sulfamoyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 44993047
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363704
4-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134036658
N-(3,5-dichlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993166
4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
CID 1117984
N-(3,4-dimethylphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 51297168
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
3,4-dichloro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 8759609
N-(2-chlorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 41363696

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide (CID 33314267) is 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide?
The InChIKey is BLWQGBFEBFPXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12(2)19(3)23(21,22)15-8-6-13(7-9-15)16(20)18-14-5-4-10-17-11-14/h4-12H,1-3H3,(H,18,20).
What are the key properties of 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide?
4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide has a molecular weight of 333.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propan-2-yl)sulfamoyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 33314267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).