N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide

C14H25N3O2S — CID 102996705

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccccc1NC
InChIInChI=1S/C14H25N3O2S/c1-5-17(12-8-11-16(3)4)20(18,19)14-10-7-6-9-13(14)15-2/h6-7,9-10,15H,5,8,11-12H2,1-4H3
InChIKeyGIJSUQIKSSBVCC-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.69
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide

N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide (PubChem CID 102996705) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
PubChem CID102996705
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccccc1NC
InChIInChI=1S/C14H25N3O2S/c1-5-17(12-8-11-16(3)4)20(18,19)14-10-7-6-9-13(14)15-2/h6-7,9-10,15H,5,8,11-12H2,1-4H3
InChIKeyGIJSUQIKSSBVCC-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102998550
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
N-methyl-2-(methylamino)-N-pentylbenzenesulfonamide
CID 62143951
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(methylamino)benzenesulfonamide
CID 107485944
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
N-(3-methoxypropyl)-N-methyl-2-(methylamino)benzenesulfonamide
CID 63009663
1-N,1-N,2-N,2-N-tetraethylbenzene-1,2-disulfonamide
CID 3900555
N-[2-(diethylsulfamoyl)phenyl]formamide
CID 168651949
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
N-(2-ethoxyethyl)-N-ethyl-2-(ethylamino)benzenesulfonamide
CID 63690094
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide (CID 102996705) is N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1ccccc1NC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide?
The InChIKey is GIJSUQIKSSBVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-17(12-8-11-16(3)4)20(18,19)14-10-7-6-9-13(14)15-2/h6-7,9-10,15H,5,8,11-12H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-2-(methylamino)benzenesulfonamide is sourced from PubChem (CID 102996705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).