4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide

C19H18N2O3S — CID 983974

IUPAC4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H18N2O3S/c1-15-6-2-3-8-19(15)24-17-9-11-18(12-10-17)25(22,23)21-14-16-7-4-5-13-20-16/h2-13,21H,14H2,1H3
InChIKeyJBJQNADEJSFYOV-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.66
Rot. Bonds6

About 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide

4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 983974) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID983974
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1
InChIInChI=1S/C19H18N2O3S/c1-15-6-2-3-8-19(15)24-17-9-11-18(12-10-17)25(22,23)21-14-16-7-4-5-13-20-16/h2-13,21H,14H2,1H3
InChIKeyJBJQNADEJSFYOV-UHFFFAOYSA-N
XLogP3.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 983974) is 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1ccccc1Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is JBJQNADEJSFYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-15-6-2-3-8-19(15)24-17-9-11-18(12-10-17)25(22,23)21-14-16-7-4-5-13-20-16/h2-13,21H,14H2,1H3.
What are the key properties of 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide?
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 354.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 983974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).