2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

C16H20N2O4S — CID 686055

IUPAC2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H20N2O4S/c1-3-21-14-7-8-15(22-4-2)16(10-14)23(19,20)18-12-13-6-5-9-17-11-13/h5-11,18H,3-4,12H2,1-2H3
InChIKeyMSRBGACACMLQPA-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.36
Rot. Bonds8

About 2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 686055) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID686055
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCc2cccnc2)c1
InChIInChI=1S/C16H20N2O4S/c1-3-21-14-7-8-15(22-4-2)16(10-14)23(19,20)18-12-13-6-5-9-17-11-13/h5-11,18H,3-4,12H2,1-2H3
InChIKeyMSRBGACACMLQPA-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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Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 686055) is 2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)NCc2cccnc2)c1.
What is the InChIKey of 2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is MSRBGACACMLQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-3-21-14-7-8-15(22-4-2)16(10-14)23(19,20)18-12-13-6-5-9-17-11-13/h5-11,18H,3-4,12H2,1-2H3.
What are the key properties of 2,5-diethoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2,5-diethoxy-N-(pyridin-3-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-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 686055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).