5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide

C11H14Cl2N2O3S — CID 64607393

IUPAC5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-15(8-2-4-18-5-3-8)19(16,17)9-6-10(12)11(13)14-7-9/h6-8H,2-5H2,1H3
InChIKeyFTZQZUKOHZVFJK-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.19
Rot. Bonds3

About 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide

5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide (PubChem CID 64607393) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
PubChem CID64607393
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-15(8-2-4-18-5-3-8)19(16,17)9-6-10(12)11(13)14-7-9/h6-8H,2-5H2,1H3
InChIKeyFTZQZUKOHZVFJK-UHFFFAOYSA-N
XLogP2.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 82743810
3-chloro-4-(chloromethyl)-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 107090975
3-amino-5-chloro-N,4-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610678
3-chloro-4-(hydroxymethyl)-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 107090640
1-[(5,6-dichloro-3-pyridinyl)sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 64606820
5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide
CID 64606326
4-[(5,6-dichloro-3-pyridinyl)sulfonyl]-1,4-oxazepane
CID 64608038
5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 64607444
6-amino-5-chloro-N-methyl-N-(thiolan-3-yl)pyridine-3-sulfonamide
CID 64608912
5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide
CID 64608400
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
5,6-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 64608208

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide (CID 64607393) is 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide is CN(C1CCOCC1)S(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide?
The InChIKey is FTZQZUKOHZVFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-15(8-2-4-18-5-3-8)19(16,17)9-6-10(12)11(13)14-7-9/h6-8H,2-5H2,1H3.
What are the key properties of 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide has a molecular weight of 325.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64607393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).