3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

C14H16N2O4S — CID 768995

IUPAC3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C14H16N2O4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-10-11-5-3-4-8-15-11/h3-9,16H,10H2,1-2H3
InChIKeyPXYVEVUKFZWQSO-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.58
Rot. Bonds6

About 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 768995) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID768995
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1OC
InChIInChI=1S/C14H16N2O4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-10-11-5-3-4-8-15-11/h3-9,16H,10H2,1-2H3
InChIKeyPXYVEVUKFZWQSO-UHFFFAOYSA-N
XLogP1.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 768995) is 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccn2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is PXYVEVUKFZWQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-13-7-6-12(9-14(13)20-2)21(17,18)16-10-11-5-3-4-8-15-11/h3-9,16H,10H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 768995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).