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

C13H22ClN3O2S — CID 64601073

IUPAC5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)C(C)C(C)C)cc1Cl
InChIInChI=1S/C13H22ClN3O2S/c1-6-15-13-12(14)7-11(8-16-13)20(18,19)17(5)10(4)9(2)3/h7-10H,6H2,1-5H3,(H,15,16)
InChIKeyIVHOXCVGSDNTMT-UHFFFAOYSA-N
MW319.86 g/mol
LogP2.83
Rot. Bonds6

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

5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 64601073) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID64601073
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC Name5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)C(C)C(C)C)cc1Cl
InChIInChI=1S/C13H22ClN3O2S/c1-6-15-13-12(14)7-11(8-16-13)20(18,19)17(5)10(4)9(2)3/h7-10H,6H2,1-5H3,(H,15,16)
InChIKeyIVHOXCVGSDNTMT-UHFFFAOYSA-N
XLogP2.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(ethylamino)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64608903
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
5-chloro-6-(ethylamino)-N-methyl-N-phenylpyridine-3-sulfonamide
CID 64606805
5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
CID 64600685
5-chloro-6-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 64606467
5-chloro-6-(ethylamino)-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64606979
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347072
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
6-chloro-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 43429215
5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide
CID 64608400
5-chloro-N-[(3S)-3-hydroxybutyl]-N-methyl-6-(2-methylpropylamino)pyridine-3-sulfonamide
CID 164640112

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide (CID 64601073) is 5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)C(C)C(C)C)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is IVHOXCVGSDNTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2S/c1-6-15-13-12(14)7-11(8-16-13)20(18,19)17(5)10(4)9(2)3/h7-10H,6H2,1-5H3,(H,15,16).
What are the key properties of 5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 319.86 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64601073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).