5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide

C14H26ClN3O2S — CID 102998558

IUPAC5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1cc(CCl)n(CC)c1
InChIInChI=1S/C14H26ClN3O2S/c1-5-17-12-14(10-13(17)11-15)21(19,20)18(6-2)9-7-8-16(3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyQPDQOYLFYLHIRN-UHFFFAOYSA-N
MW335.90 g/mol
LogP2.21
Rot. Bonds9

About 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide

5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide (PubChem CID 102998558) has the molecular formula C14H26ClN3O2S and a molecular weight of 335.90 g/mol. Its IUPAC name is 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide
PubChem CID102998558
Molecular FormulaC14H26ClN3O2S
Molecular Weight335.90 g/mol
Exact Mass335.14
IUPAC Name5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1cc(CCl)n(CC)c1
InChIInChI=1S/C14H26ClN3O2S/c1-5-17-12-14(10-13(17)11-15)21(19,20)18(6-2)9-7-8-16(3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyQPDQOYLFYLHIRN-UHFFFAOYSA-N
XLogP2.21
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.90
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-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-(chloromethyl)-1-ethyl-N-methyl-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 112667073
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
4-[3-(dimethylamino)propyl-methylsulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 63694139
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
2-(chloromethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102998550
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
5-(chloromethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpyrrole-3-sulfonamide
CID 79845483
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 102995739
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
4-[2-cyanoethyl(ethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 60951093

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide?
The IUPAC name of 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide (CID 102998558) is 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1cc(CCl)n(CC)c1.
What is the InChIKey of 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide?
The InChIKey is QPDQOYLFYLHIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O2S/c1-5-17-12-14(10-13(17)11-15)21(19,20)18(6-2)9-7-8-16(3)4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide?
5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide has a molecular weight of 335.90 g/mol, XLogP of 2.21, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-[3-(dimethylamino)propyl]-N,1-diethylpyrrole-3-sulfonamide is sourced from PubChem (CID 102998558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).