4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C16H20N2O2S — CID 3704165

IUPAC4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-5-14-7-9-16(10-8-14)21(19,20)18-13-11-15-6-3-4-12-17-15/h3-4,6-10,12,18H,2,5,11,13H2,1H3
InChIKeyHBQFGBMHOBXUOR-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.56
Rot. Bonds7

About 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 3704165) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID3704165
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-5-14-7-9-16(10-8-14)21(19,20)18-13-11-15-6-3-4-12-17-15/h3-4,6-10,12,18H,2,5,11,13H2,1H3
InChIKeyHBQFGBMHOBXUOR-UHFFFAOYSA-N
XLogP2.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
4-propyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888102
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63287946
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
5-(2-pyridin-2-ylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614071
2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 81241460
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
2-methyl-5-(4-phenylphenyl)sulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 57430216

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 3704165) is 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is HBQFGBMHOBXUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-5-14-7-9-16(10-8-14)21(19,20)18-13-11-15-6-3-4-12-17-15/h3-4,6-10,12,18H,2,5,11,13H2,1H3.
What are the key properties of 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 304.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3704165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).