5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide

C9H8Cl2N4O2S — CID 64606709

IUPAC5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N4O2S/c10-7-3-6(4-14-9(7)11)18(16,17)15-5-8-12-1-2-13-8/h1-4,15H,5H2,(H,12,13)
InChIKeyQORIEDXDGZWITE-UHFFFAOYSA-N
MW307.16 g/mol
LogP1.59
Rot. Bonds4

About 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide

5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64606709) has the molecular formula C9H8Cl2N4O2S and a molecular weight of 307.16 g/mol. Its IUPAC name is 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID64606709
Molecular FormulaC9H8Cl2N4O2S
Molecular Weight307.16 g/mol
Exact Mass305.97
IUPAC Name5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ncc[nH]1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C9H8Cl2N4O2S/c10-7-3-6(4-14-9(7)11)18(16,17)15-5-8-12-1-2-13-8/h1-4,15H,5H2,(H,12,13)
InChIKeyQORIEDXDGZWITE-UHFFFAOYSA-N
XLogP1.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 51.59
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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Related Compounds

2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
3-amino-5-chloro-N-(1H-imidazol-2-ylmethyl)-4-methylbenzenesulfonamide
CID 64518020
2-chloro-4-(1H-imidazol-2-ylmethylsulfamoyl)benzoic acid
CID 107090121
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-methyl-5-nitrobenzenesulfonamide
CID 64529928
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64531399
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
3-bromo-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64531330
5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114955310
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
3-amino-N-(1H-imidazol-2-ylmethyl)-5-methylbenzenesulfonamide
CID 64519368

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide (CID 64606709) is 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCc1ncc[nH]1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is QORIEDXDGZWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O2S/c10-7-3-6(4-14-9(7)11)18(16,17)15-5-8-12-1-2-13-8/h1-4,15H,5H2,(H,12,13).
What are the key properties of 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 307.16 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64606709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).