4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C14H16N2O3S — CID 688003

IUPAC4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-19-13-2-4-14(5-3-13)20(17,18)16-11-8-12-6-9-15-10-7-12/h2-7,9-10,16H,8,11H2,1H3
InChIKeyOLMVLVHUOPQYGM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.61
Rot. Bonds6

About 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide

4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 688003) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID688003
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
InChIInChI=1S/C14H16N2O3S/c1-19-13-2-4-14(5-3-13)20(17,18)16-11-8-12-6-9-15-10-7-12/h2-7,9-10,16H,8,11H2,1H3
InChIKeyOLMVLVHUOPQYGM-UHFFFAOYSA-N
XLogP1.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 688003) is 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccncc2)cc1.
What is the InChIKey of 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is OLMVLVHUOPQYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-13-2-4-14(5-3-13)20(17,18)16-11-8-12-6-9-15-10-7-12/h2-7,9-10,16H,8,11H2,1H3.
What are the key properties of 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 688003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).