N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide

C9H13Cl2N3O2S — CID 71969785

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O2S/c1-2-17(15,16)14-4-3-12-9-8(11)5-7(10)6-13-9/h5-6,14H,2-4H2,1H3,(H,12,13)
InChIKeyQPCKBIUAJLEHBY-UHFFFAOYSA-N
MW298.20 g/mol
LogP1.74
Rot. Bonds6

About N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide

N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide (PubChem CID 71969785) has the molecular formula C9H13Cl2N3O2S and a molecular weight of 298.20 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide
PubChem CID71969785
Molecular FormulaC9H13Cl2N3O2S
Molecular Weight298.20 g/mol
Exact Mass297.01
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H13Cl2N3O2S/c1-2-17(15,16)14-4-3-12-9-8(11)5-7(10)6-13-9/h5-6,14H,2-4H2,1H3,(H,12,13)
InChIKeyQPCKBIUAJLEHBY-UHFFFAOYSA-N
XLogP1.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide (CID 71969785) is N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide?
The InChIKey is QPCKBIUAJLEHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2N3O2S/c1-2-17(15,16)14-4-3-12-9-8(11)5-7(10)6-13-9/h5-6,14H,2-4H2,1H3,(H,12,13).
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide?
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide has a molecular weight of 298.20 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 71969785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).