5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide

C13H22ClN3O2S — CID 103192253

IUPAC5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(CCl)cn1
InChIInChI=1S/C13H22ClN3O2S/c1-5-17(11(2)10-16(3)4)20(18,19)13-7-6-12(8-14)9-15-13/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeySKXXOAMJWXSBAB-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.78
Rot. Bonds7

About 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide

5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide (PubChem CID 103192253) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide
PubChem CID103192253
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC Name5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(CCl)cn1
InChIInChI=1S/C13H22ClN3O2S/c1-5-17(11(2)10-16(3)4)20(18,19)13-7-6-12(8-14)9-15-13/h6-7,9,11H,5,8,10H2,1-4H3
InChIKeySKXXOAMJWXSBAB-UHFFFAOYSA-N
XLogP1.78
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-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-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103192247
2-N-[5-(chloromethyl)pyrimidin-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189857
6-[ethyl(1-methoxypropan-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63873954
6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103188942
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103191041
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydrazinylpyridine-3-sulfonamide
CID 103189660
5-(hydroxymethyl)-N,N-dimethylpyridine-2-sulfonamide
CID 54857460
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 106546875
4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103189656
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 103187456

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide?
The IUPAC name of 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide (CID 103192253) is 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1ccc(CCl)cn1.
What is the InChIKey of 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide?
The InChIKey is SKXXOAMJWXSBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2S/c1-5-17(11(2)10-16(3)4)20(18,19)13-7-6-12(8-14)9-15-13/h6-7,9,11H,5,8,10H2,1-4H3.
What are the key properties of 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide?
5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide has a molecular weight of 319.86 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-2-sulfonamide is sourced from PubChem (CID 103192253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).