5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide

C11H12Cl2N4O2S — CID 64608216

IUPAC5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N4O2S/c1-17-5-4-14-10(17)2-3-16-20(18,19)8-6-9(12)11(13)15-7-8/h4-7,16H,2-3H2,1H3
InChIKeyNGSUNFVYWRXEEM-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.64
Rot. Bonds5

About 5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide

5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 64608216) has the molecular formula C11H12Cl2N4O2S and a molecular weight of 335.22 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID64608216
Molecular FormulaC11H12Cl2N4O2S
Molecular Weight335.22 g/mol
Exact Mass334.01
IUPAC Name5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCn1ccnc1CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N4O2S/c1-17-5-4-14-10(17)2-3-16-20(18,19)8-6-9(12)11(13)15-7-8/h4-7,16H,2-3H2,1H3
InChIKeyNGSUNFVYWRXEEM-UHFFFAOYSA-N
XLogP1.64
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 64608216) is 5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide is Cn1ccnc1CCNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is NGSUNFVYWRXEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2S/c1-17-5-4-14-10(17)2-3-16-20(18,19)8-6-9(12)11(13)15-7-8/h4-7,16H,2-3H2,1H3.
What are the key properties of 5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 335.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64608216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).