4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide

C15H16N2O3S — CID 60729005

IUPAC4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12(18)14-4-6-15(7-5-14)21(19,20)17-10-8-13-3-2-9-16-11-13/h2-7,9,11,17H,8,10H2,1H3
InChIKeyQLJAMRCUJULWND-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.81
Rot. Bonds6

About 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide

4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 60729005) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID60729005
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCc2cccnc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12(18)14-4-6-15(7-5-14)21(19,20)17-10-8-13-3-2-9-16-11-13/h2-7,9,11,17H,8,10H2,1H3
InChIKeyQLJAMRCUJULWND-UHFFFAOYSA-N
XLogP1.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
CID 113222580
4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110607148
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708
4-(propan-2-ylsulfamoyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 36866769
N-(2-phenylethyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060926
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
4-acetyl-N-pyridin-3-ylbenzenesulfonamide
CID 22750329
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide (CID 60729005) is 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCc2cccnc2)cc1.
What is the InChIKey of 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is QLJAMRCUJULWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12(18)14-4-6-15(7-5-14)21(19,20)17-10-8-13-3-2-9-16-11-13/h2-7,9,11,17H,8,10H2,1H3.
What are the key properties of 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 304.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60729005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).