5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide

C11H18ClN3O3S — CID 64602257

IUPAC5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C11H18ClN3O3S/c1-3-4-15(5-6-16)19(17,18)9-7-10(12)11(13-2)14-8-9/h7-8,16H,3-6H2,1-2H3,(H,13,14)
InChIKeySTWKSWJVXOHXLS-UHFFFAOYSA-N
MW307.80 g/mol
LogP1.17
Rot. Bonds7

About 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide

5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide (PubChem CID 64602257) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide
PubChem CID64602257
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide
SMILESCCCN(CCO)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C11H18ClN3O3S/c1-3-4-15(5-6-16)19(17,18)9-7-10(12)11(13-2)14-8-9/h7-8,16H,3-6H2,1-2H3,(H,13,14)
InChIKeySTWKSWJVXOHXLS-UHFFFAOYSA-N
XLogP1.17
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 102870293
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 113239391
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64601910
5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107480756
5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
CID 64608514
2-chloro-N-ethyl-N-(2-hydroxyethyl)pyrimidine-5-sulfonamide
CID 60980774
5-bromo-2-(ethylamino)-N-(2-hydroxyethyl)-N-propylpyridine-3-sulfonamide
CID 62157146
5-chloro-N-methyl-6-(methylamino)-N-propylpyridine-3-carboxamide
CID 62168287
5-chloro-N-hexyl-6-(methylamino)pyridine-3-sulfonamide
CID 64602106
5-chloro-6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-3-sulfonamide
CID 64607176

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide (CID 64602257) is 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide is CCCN(CCO)S(=O)(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide?
The InChIKey is STWKSWJVXOHXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S/c1-3-4-15(5-6-16)19(17,18)9-7-10(12)11(13-2)14-8-9/h7-8,16H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide?
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide has a molecular weight of 307.80 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 64602257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).