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

C10H9Cl2N3O3S — CID 64608033

IUPAC5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)on1
InChIInChI=1S/C10H9Cl2N3O3S/c1-6-2-7(18-15-6)4-14-19(16,17)8-3-9(11)10(12)13-5-8/h2-3,5,14H,4H2,1H3
InChIKeyRZVDYMAUTXJZEH-UHFFFAOYSA-N
MW322.17 g/mol
LogP2.16
Rot. Bonds4

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

5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide (PubChem CID 64608033) has the molecular formula C10H9Cl2N3O3S and a molecular weight of 322.17 g/mol. Its IUPAC name is 5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
PubChem CID64608033
Molecular FormulaC10H9Cl2N3O3S
Molecular Weight322.17 g/mol
Exact Mass320.97
IUPAC Name5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
SMILESCc1cc(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)on1
InChIInChI=1S/C10H9Cl2N3O3S/c1-6-2-7(18-15-6)4-14-19(16,17)8-3-9(11)10(12)13-5-8/h2-3,5,14H,4H2,1H3
InChIKeyRZVDYMAUTXJZEH-UHFFFAOYSA-N
XLogP2.16
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 52.16
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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Related Compounds

5-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 114614370
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
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
5,6-dichloro-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 64622728
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
N-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfamoyl]benzamide
CID 48944724
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
5,6-dichloro-N-(2-methylsulfinylethyl)pyridine-3-sulfonamide
CID 115641390
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]acetate
CID 64624792
5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
CID 64606892

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide (CID 64608033) is 5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide is Cc1cc(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)on1.
What is the InChIKey of 5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is RZVDYMAUTXJZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O3S/c1-6-2-7(18-15-6)4-14-19(16,17)8-3-9(11)10(12)13-5-8/h2-3,5,14H,4H2,1H3.
What are the key properties of 5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 322.17 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64608033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).