5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide

C12H20ClN3O2S — CID 64608495

IUPAC5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC(CC)CC)cc1Cl
InChIInChI=1S/C12H20ClN3O2S/c1-4-9(5-2)16-19(17,18)10-7-11(13)12(14-6-3)15-8-10/h7-9,16H,4-6H2,1-3H3,(H,14,15)
InChIKeyPKFVLFXCJHFXKQ-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.63
Rot. Bonds7

About 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide (PubChem CID 64608495) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
PubChem CID64608495
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC(CC)CC)cc1Cl
InChIInChI=1S/C12H20ClN3O2S/c1-4-9(5-2)16-19(17,18)10-7-11(13)12(14-6-3)15-8-10/h7-9,16H,4-6H2,1-3H3,(H,14,15)
InChIKeyPKFVLFXCJHFXKQ-UHFFFAOYSA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347072
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
5-chloro-6-(ethylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64601724
5,6-dichloro-N-hexan-3-ylpyridine-3-sulfonamide
CID 64607651
5-chloro-N-(3,3-dimethylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 104829834
5-chloro-6-(ethylamino)-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 64600545
5-chloro-6-(ethylamino)-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64607180
5-chloro-6-(ethylamino)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64608903
5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 64602451
5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82735861
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64602460
5-chloro-6-(ethylamino)-N-methyl-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64601073

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide (CID 64608495) is 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NC(CC)CC)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide?
The InChIKey is PKFVLFXCJHFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S/c1-4-9(5-2)16-19(17,18)10-7-11(13)12(14-6-3)15-8-10/h7-9,16H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 64608495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).