N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide

C13H13ClN2O3S — CID 11278404

IUPACN-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O3S/c1-2-20(17,18)16-12-7-8-15-9-13(12)19-11-5-3-10(14)4-6-11/h3-9H,2H2,1H3,(H,15,16)
InChIKeySNPVCUNFLUMOJV-UHFFFAOYSA-N
MW312.78 g/mol
LogP3.29
Rot. Bonds5

About N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide

N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide (PubChem CID 11278404) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide
PubChem CID11278404
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O3S/c1-2-20(17,18)16-12-7-8-15-9-13(12)19-11-5-3-10(14)4-6-11/h3-9H,2H2,1H3,(H,15,16)
InChIKeySNPVCUNFLUMOJV-UHFFFAOYSA-N
XLogP3.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide (CID 11278404) is N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide?
The InChIKey is SNPVCUNFLUMOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-2-20(17,18)16-12-7-8-15-9-13(12)19-11-5-3-10(14)4-6-11/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide?
N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)-4-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 11278404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).