5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide

C12H18ClN3O3S — CID 82735861

IUPAC5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2CCOC2C)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-3-14-12-10(13)6-9(7-15-12)20(17,18)16-11-4-5-19-8(11)2/h6-8,11,16H,3-5H2,1-2H3,(H,14,15)
InChIKeyQHPQSRXKGNKBHZ-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.62
Rot. Bonds5

About 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide (PubChem CID 82735861) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
PubChem CID82735861
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC2CCOC2C)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-3-14-12-10(13)6-9(7-15-12)20(17,18)16-11-4-5-19-8(11)2/h6-8,11,16H,3-5H2,1-2H3,(H,14,15)
InChIKeyQHPQSRXKGNKBHZ-UHFFFAOYSA-N
XLogP1.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(ethylamino)-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 64600545
N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 82735971
5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide
CID 164635829
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
5-bromo-N-(2-methyloxolan-3-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 82729058
5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 64601137
5-chloro-6-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 64609151
5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 64602451
4-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonyl]morpholine-2-carbonitrile
CID 79671468
3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64601076
5-chloro-6-(ethylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-sulfonamide
CID 64607000

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide (CID 82735861) is 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NC2CCOC2C)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide?
The InChIKey is QHPQSRXKGNKBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-3-14-12-10(13)6-9(7-15-12)20(17,18)16-11-4-5-19-8(11)2/h6-8,11,16H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 82735861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).