5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide

C12H19ClN4O3S — CID 64608502

IUPAC5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C12H19ClN4O3S/c1-14-12-11(13)8-10(9-15-12)21(18,19)16-2-3-17-4-6-20-7-5-17/h8-9,16H,2-7H2,1H3,(H,14,15)
InChIKeyJYYNEISXGDXUMH-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.39
Rot. Bonds6

About 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide

5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide (PubChem CID 64608502) has the molecular formula C12H19ClN4O3S and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide
PubChem CID64608502
Molecular FormulaC12H19ClN4O3S
Molecular Weight334.83 g/mol
Exact Mass334.09
IUPAC Name5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCCN2CCOCC2)cc1Cl
InChIInChI=1S/C12H19ClN4O3S/c1-14-12-11(13)8-10(9-15-12)21(18,19)16-2-3-17-4-6-20-7-5-17/h8-9,16H,2-7H2,1H3,(H,14,15)
InChIKeyJYYNEISXGDXUMH-UHFFFAOYSA-N
XLogP0.39
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 110305451
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
5-chloro-6-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
CID 80685568
5-chloro-6-(methylamino)-N-(3,3,3-trifluoropropyl)pyridine-3-sulfonamide
CID 64602290
5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide
CID 64602106
5-chloro-N-(2-cyclopentylethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64600883
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
5-chloro-6-(methylamino)-N-pyrimidin-2-ylpyridine-3-sulfonamide
CID 64607730
5-chloro-6-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-3-sulfonamide
CID 106295502
2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 64601658

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide (CID 64608502) is 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)NCCN2CCOCC2)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide?
The InChIKey is JYYNEISXGDXUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3S/c1-14-12-11(13)8-10(9-15-12)21(18,19)16-2-3-17-4-6-20-7-5-17/h8-9,16H,2-7H2,1H3,(H,14,15).
What are the key properties of 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide?
5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide has a molecular weight of 334.83 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64608502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).