5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide

C11H16ClN3O3S — CID 82743810

IUPAC5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)C2CCOC2)cc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-13-11-10(12)5-9(6-14-11)19(16,17)15(2)8-3-4-18-7-8/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyIBFTZNRNPRIUOV-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.19
Rot. Bonds4

About 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide

5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide (PubChem CID 82743810) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide
PubChem CID82743810
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)C2CCOC2)cc1Cl
InChIInChI=1S/C11H16ClN3O3S/c1-13-11-10(12)5-9(6-14-11)19(16,17)15(2)8-3-4-18-7-8/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyIBFTZNRNPRIUOV-UHFFFAOYSA-N
XLogP1.19
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide (CID 82743810) is 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)N(C)C2CCOC2)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide?
The InChIKey is IBFTZNRNPRIUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-13-11-10(12)5-9(6-14-11)19(16,17)15(2)8-3-4-18-7-8/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide?
5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide has a molecular weight of 305.79 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 82743810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).