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

C12H18ClN3O3S — CID 102870293

IUPAC5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(CCO)C2CCC2)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-14-12-11(13)7-10(8-15-12)20(18,19)16(5-6-17)9-3-2-4-9/h7-9,17H,2-6H2,1H3,(H,14,15)
InChIKeyXEEKERKKERBVDS-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.31
Rot. Bonds6

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

5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 102870293) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide
PubChem CID102870293
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(CCO)C2CCC2)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-14-12-11(13)7-10(8-15-12)20(18,19)16(5-6-17)9-3-2-4-9/h7-9,17H,2-6H2,1H3,(H,14,15)
InChIKeyXEEKERKKERBVDS-UHFFFAOYSA-N
XLogP1.31
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 64607444
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide
CID 64602257
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64601910
6-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61046307
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
5-chloro-N-methyl-6-(methylamino)-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 82743810
2-chloro-4-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862562
2-[[5-chloro-6-(methylamino)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 64601658
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724
5-chloro-N-(2-cyclopentylethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 64600883
5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62152814

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide (CID 102870293) is 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)N(CCO)C2CCC2)cc1Cl.
What is the InChIKey of 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is XEEKERKKERBVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-14-12-11(13)7-10(8-15-12)20(18,19)16(5-6-17)9-3-2-4-9/h7-9,17H,2-6H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide?
5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 102870293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).