2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

C16H20N2O4S — CID 775813

IUPAC2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H20N2O4S/c1-3-21-14-8-9-15(22-4-2)16(11-14)23(19,20)18-12-13-7-5-6-10-17-13/h5-11,18H,3-4,12H2,1-2H3
InChIKeyDFKAENWTQAZWHD-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.36
Rot. Bonds8

About 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 775813) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID775813
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C16H20N2O4S/c1-3-21-14-8-9-15(22-4-2)16(11-14)23(19,20)18-12-13-7-5-6-10-17-13/h5-11,18H,3-4,12H2,1-2H3
InChIKeyDFKAENWTQAZWHD-UHFFFAOYSA-N
XLogP2.36
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
3,4-Dimethoxy-N-pyridin-3-yl-benzenesulfonamide
CID 778317
4-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 676047
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
4-Ethoxy-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 741474
5-fluoro-2-methoxy-N-(4-pyridinyl)benzenesulfonamide
CID 850011
5-chloro-2-ethoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 1106588
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
2,5-dimethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 794488
2,5-dimethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 893397
2-ethoxy-5-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 934901

Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 775813) is 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is DFKAENWTQAZWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-3-21-14-8-9-15(22-4-2)16(11-14)23(19,20)18-12-13-7-5-6-10-17-13/h5-11,18H,3-4,12H2,1-2H3.
What are the key properties of 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 775813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).