4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide

C16H19N3O3S — CID 51193149

IUPAC4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(C)c2cccnc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-3-18-23(21,22)15-8-6-13(7-9-15)16(20)19-12(2)14-5-4-10-17-11-14/h4-12,18H,3H2,1-2H3,(H,19,20)
InChIKeySHQXGSDAUUSYRG-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.87
Rot. Bonds6

About 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide

4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 51193149) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID51193149
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC(C)c2cccnc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-3-18-23(21,22)15-8-6-13(7-9-15)16(20)19-12(2)14-5-4-10-17-11-14/h4-12,18H,3H2,1-2H3,(H,19,20)
InChIKeySHQXGSDAUUSYRG-UHFFFAOYSA-N
XLogP1.87
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 94822134
N-propan-2-yl-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109058145
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(ethylsulfamoyl)benzamide
CID 9220040
4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
CID 92520306
4-(butan-2-ylsulfamoyl)-N-(1-pyridin-4-ylethyl)benzamide
CID 51164261
N-(1-phenylethyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297156
4-(ethylsulfamoyl)-N-(5-methylhexan-2-yl)benzamide
CID 86917372
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide (CID 51193149) is 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)NC(C)c2cccnc2)cc1.
What is the InChIKey of 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is SHQXGSDAUUSYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-3-18-23(21,22)15-8-6-13(7-9-15)16(20)19-12(2)14-5-4-10-17-11-14/h4-12,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide?
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 333.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 51193149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).