3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

C13H14N2O3S — CID 852239

IUPAC3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C13H14N2O3S/c1-18-12-6-4-7-13(9-12)19(16,17)15-10-11-5-2-3-8-14-11/h2-9,15H,10H2,1H3
InChIKeySWOIRDRIMBXECN-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.57
Rot. Bonds5

About 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 852239) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID852239
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C13H14N2O3S/c1-18-12-6-4-7-13(9-12)19(16,17)15-10-11-5-2-3-8-14-11/h2-9,15H,10H2,1H3
InChIKeySWOIRDRIMBXECN-UHFFFAOYSA-N
XLogP1.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 852239) is 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1cccc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is SWOIRDRIMBXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-18-12-6-4-7-13(9-12)19(16,17)15-10-11-5-2-3-8-14-11/h2-9,15H,10H2,1H3.
What are the key properties of 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 852239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).