N-(3-phenoxy-4-pyridinyl)ethanesulfonamide

C13H14N2O3S — CID 11150126

IUPACN-(3-phenoxy-4-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccncc1Oc1ccccc1
InChIInChI=1S/C13H14N2O3S/c1-2-19(16,17)15-12-8-9-14-10-13(12)18-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,14,15)
InChIKeyFOUBNASCZPSQBW-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.64
Rot. Bonds5

About N-(3-phenoxy-4-pyridinyl)ethanesulfonamide

N-(3-phenoxy-4-pyridinyl)ethanesulfonamide (PubChem CID 11150126) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(3-phenoxy-4-pyridinyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-phenoxy-4-pyridinyl)ethanesulfonamide
PubChem CID11150126
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(3-phenoxy-4-pyridinyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccncc1Oc1ccccc1
InChIInChI=1S/C13H14N2O3S/c1-2-19(16,17)15-12-8-9-14-10-13(12)18-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,14,15)
InChIKeyFOUBNASCZPSQBW-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxy-4-pyridinyl)ethanesulfonamide?
The IUPAC name of N-(3-phenoxy-4-pyridinyl)ethanesulfonamide (CID 11150126) is N-(3-phenoxy-4-pyridinyl)ethanesulfonamide.
What is the SMILES notation for N-(3-phenoxy-4-pyridinyl)ethanesulfonamide?
The canonical SMILES for N-(3-phenoxy-4-pyridinyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccncc1Oc1ccccc1.
What is the InChIKey of N-(3-phenoxy-4-pyridinyl)ethanesulfonamide?
The InChIKey is FOUBNASCZPSQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-19(16,17)15-12-8-9-14-10-13(12)18-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,14,15).
What are the key properties of N-(3-phenoxy-4-pyridinyl)ethanesulfonamide?
N-(3-phenoxy-4-pyridinyl)ethanesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxy-4-pyridinyl)ethanesulfonamide is sourced from PubChem (CID 11150126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).