5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide

C10H14Cl2N2O4S — CID 64608618

IUPAC5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
SMILESCOC(OC)C(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O4S/c1-6(10(17-2)18-3)14-19(15,16)7-4-8(11)9(12)13-5-7/h4-6,10,14H,1-3H3
InChIKeyFQOTYXWVLLGXAU-UHFFFAOYSA-N
MW329.21 g/mol
LogP1.67
Rot. Bonds6

About 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide (PubChem CID 64608618) has the molecular formula C10H14Cl2N2O4S and a molecular weight of 329.21 g/mol. Its IUPAC name is 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
PubChem CID64608618
Molecular FormulaC10H14Cl2N2O4S
Molecular Weight329.21 g/mol
Exact Mass328.01
IUPAC Name5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide
SMILESCOC(OC)C(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2O4S/c1-6(10(17-2)18-3)14-19(15,16)7-4-8(11)9(12)13-5-7/h4-6,10,14H,1-3H3
InChIKeyFQOTYXWVLLGXAU-UHFFFAOYSA-N
XLogP1.67
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide (CID 64608618) is 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide is COC(OC)C(C)NS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is FQOTYXWVLLGXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O4S/c1-6(10(17-2)18-3)14-19(15,16)7-4-8(11)9(12)13-5-7/h4-6,10,14H,1-3H3.
What are the key properties of 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 329.21 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(1,1-dimethoxypropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64608618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).