5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide

C10H12Cl2N2O3S — CID 115767149

IUPAC5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCOC1
InChIInChI=1S/C10H12Cl2N2O3S/c1-10(2-3-17-6-10)14-18(15,16)7-4-8(11)9(12)13-5-7/h4-5,14H,2-3,6H2,1H3
InChIKeyYLSKHXUCBVYWEV-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.85
Rot. Bonds3

About 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide (PubChem CID 115767149) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
PubChem CID115767149
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC Name5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCOC1
InChIInChI=1S/C10H12Cl2N2O3S/c1-10(2-3-17-6-10)14-18(15,16)7-4-8(11)9(12)13-5-7/h4-5,14H,2-3,6H2,1H3
InChIKeyYLSKHXUCBVYWEV-UHFFFAOYSA-N
XLogP1.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
CID 64608959
3-chloro-4-(methylaminomethyl)-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 107091654
1,4-dichloro-N-(4-methyloxan-4-yl)isoquinoline-7-sulfonamide
CID 59106408
2-amino-5-chloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 146122745
2-chloro-N-(3-methyloxan-3-yl)pyridine-4-sulfonamide
CID 114113555
5-[(3-methyloxolan-3-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614705
2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
CID 113491040
5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 79871007
5,6-dichloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 79362839
N-(3-methyloxolan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693380
2-chloro-4-cyano-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 75500304
5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 64602451

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide (CID 115767149) is 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide is CC1(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCOC1.
What is the InChIKey of 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide?
The InChIKey is YLSKHXUCBVYWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c1-10(2-3-17-6-10)14-18(15,16)7-4-8(11)9(12)13-5-7/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide has a molecular weight of 311.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115767149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).