N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide

C17H22ClN3O3S — CID 113239391

IUPACN-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1Cl
InChIInChI=1S/C17H22ClN3O3S/c1-2-8-19-17-16(18)11-15(12-20-17)25(23,24)21(9-10-22)13-14-6-4-3-5-7-14/h3-7,11-12,22H,2,8-10,13H2,1H3,(H,19,20)
InChIKeyJMUNLFATTJHFHY-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.74
Rot. Bonds9

About N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide

N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 113239391) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID113239391
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC NameN-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1Cl
InChIInChI=1S/C17H22ClN3O3S/c1-2-8-19-17-16(18)11-15(12-20-17)25(23,24)21(9-10-22)13-14-6-4-3-5-7-14/h3-7,11-12,22H,2,8-10,13H2,1H3,(H,19,20)
InChIKeyJMUNLFATTJHFHY-UHFFFAOYSA-N
XLogP2.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)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-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide
CID 64602257
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
5-chloro-N-methyl-N-pentan-3-yl-6-(propylamino)pyridine-3-sulfonamide
CID 64600685
5-chloro-6-(ethylamino)-N-methyl-N-phenylpyridine-3-sulfonamide
CID 64606805
5-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 107480756
N-benzyl-2-chloro-N-propylbenzenesulfonamide
CID 134017133
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
5-chloro-N-ethyl-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181483
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
N-benzyl-N-(2-hydroxyethyl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 113228610
N-benzyl-5-bromo-N-propan-2-yl-2-(propylamino)pyridine-3-carboxamide
CID 113232541

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide (CID 113239391) is N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ncc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1Cl.
What is the InChIKey of N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is JMUNLFATTJHFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c1-2-8-19-17-16(18)11-15(12-20-17)25(23,24)21(9-10-22)13-14-6-4-3-5-7-14/h3-7,11-12,22H,2,8-10,13H2,1H3,(H,19,20).
What are the key properties of N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide?
N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 383.90 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 113239391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).