N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide

C9H11ClN2O3S — CID 167755310

IUPACN-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCCOc1cccc(Cl)n1
InChIInChI=1S/C9H11ClN2O3S/c1-2-16(13,14)11-6-7-15-9-5-3-4-8(10)12-9/h2-5,11H,1,6-7H2
InChIKeyFXDHYMHKDUBEIZ-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.18
Rot. Bonds6

About N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide

N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide (PubChem CID 167755310) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide
PubChem CID167755310
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC NameN-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCCOc1cccc(Cl)n1
InChIInChI=1S/C9H11ClN2O3S/c1-2-16(13,14)11-6-7-15-9-5-3-4-8(10)12-9/h2-5,11H,1,6-7H2
InChIKeyFXDHYMHKDUBEIZ-UHFFFAOYSA-N
XLogP1.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide?
The IUPAC name of N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide (CID 167755310) is N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide.
What is the SMILES notation for N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide?
The canonical SMILES for N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide is C=CS(=O)(=O)NCCOc1cccc(Cl)n1.
What is the InChIKey of N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide?
The InChIKey is FXDHYMHKDUBEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-2-16(13,14)11-6-7-15-9-5-3-4-8(10)12-9/h2-5,11H,1,6-7H2.
What are the key properties of N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide?
N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide has a molecular weight of 262.72 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-2-pyridinyl)oxy]ethyl]ethenesulfonamide is sourced from PubChem (CID 167755310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).