2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide

C7H8Cl3N3O2S — CID 102750379

IUPAC2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H8Cl3N3O2S/c8-4-3-5(9)7(13-6(4)10)12-1-2-16(11,14)15/h3H,1-2H2,(H,12,13)(H2,11,14,15)
InChIKeyCTQSANWPTRSTFV-UHFFFAOYSA-N
MW304.59 g/mol
LogP1.74
Rot. Bonds4

About 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide

2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide (PubChem CID 102750379) has the molecular formula C7H8Cl3N3O2S and a molecular weight of 304.59 g/mol. Its IUPAC name is 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide
PubChem CID102750379
Molecular FormulaC7H8Cl3N3O2S
Molecular Weight304.59 g/mol
Exact Mass302.94
IUPAC Name2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C7H8Cl3N3O2S/c8-4-3-5(9)7(13-6(4)10)12-1-2-16(11,14)15/h3H,1-2H2,(H,12,13)(H2,11,14,15)
InChIKeyCTQSANWPTRSTFV-UHFFFAOYSA-N
XLogP1.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.59
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide (CID 102750379) is 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide?
The InChIKey is CTQSANWPTRSTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl3N3O2S/c8-4-3-5(9)7(13-6(4)10)12-1-2-16(11,14)15/h3H,1-2H2,(H,12,13)(H2,11,14,15).
What are the key properties of 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide?
2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide has a molecular weight of 304.59 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanesulfonamide is sourced from PubChem (CID 102750379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).