5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide

C12H20ClN3O3S — CID 79385956

IUPAC5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)CC(C)(C)O)cc1Cl
InChIInChI=1S/C12H20ClN3O3S/c1-5-14-11-10(13)6-9(7-15-11)20(18,19)16(4)8-12(2,3)17/h6-7,17H,5,8H2,1-4H3,(H,14,15)
InChIKeyJJWSTKNQABZPCV-UHFFFAOYSA-N
MW321.83 g/mol
LogP1.56
Rot. Bonds6

About 5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide (PubChem CID 79385956) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
PubChem CID79385956
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)CC(C)(C)O)cc1Cl
InChIInChI=1S/C12H20ClN3O3S/c1-5-14-11-10(13)6-9(7-15-11)20(18,19)16(4)8-12(2,3)17/h6-7,17H,5,8H2,1-4H3,(H,14,15)
InChIKeyJJWSTKNQABZPCV-UHFFFAOYSA-N
XLogP1.56
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide (CID 79385956) is 5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)CC(C)(C)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is JJWSTKNQABZPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3S/c1-5-14-11-10(13)6-9(7-15-11)20(18,19)16(4)8-12(2,3)17/h6-7,17H,5,8H2,1-4H3,(H,14,15).
What are the key properties of 5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 321.83 g/mol, XLogP of 1.56, 6 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-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 79385956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).