5,6-dichloro-N,N-diethylpyridine-3-sulfonamide

C9H12Cl2N2O2S — CID 826913

IUPAC5,6-dichloro-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c1-3-13(4-2)16(14,15)7-5-8(10)9(11)12-6-7/h5-6H,3-4H2,1-2H3
InChIKeyQXAROKGROHDUFF-UHFFFAOYSA-N
MW283.18 g/mol
LogP2.42
Rot. Bonds4

About 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide

5,6-dichloro-N,N-diethylpyridine-3-sulfonamide (PubChem CID 826913) has the molecular formula C9H12Cl2N2O2S and a molecular weight of 283.18 g/mol. Its IUPAC name is 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N,N-diethylpyridine-3-sulfonamide
PubChem CID826913
Molecular FormulaC9H12Cl2N2O2S
Molecular Weight283.18 g/mol
Exact Mass282.00
IUPAC Name5,6-dichloro-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H12Cl2N2O2S/c1-3-13(4-2)16(14,15)7-5-8(10)9(11)12-6-7/h5-6H,3-4H2,1-2H3
InChIKeyQXAROKGROHDUFF-UHFFFAOYSA-N
XLogP2.42
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide (CID 826913) is 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is QXAROKGROHDUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2S/c1-3-13(4-2)16(14,15)7-5-8(10)9(11)12-6-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide?
5,6-dichloro-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 283.18 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 826913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).