N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide

C15H19N3O2S — CID 110454140

IUPACN-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-18(2)12-11-17-21(19,20)15-5-3-13(4-6-15)14-7-9-16-10-8-14/h3-10,17H,11-12H2,1-2H3
InChIKeyWGXNDTVPAWAFLI-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide (PubChem CID 110454140) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
PubChem CID110454140
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-18(2)12-11-17-21(19,20)15-5-3-13(4-6-15)14-7-9-16-10-8-14/h3-10,17H,11-12H2,1-2H3
InChIKeyWGXNDTVPAWAFLI-UHFFFAOYSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 110454141
3-[(4-pyridin-4-ylphenyl)sulfonylamino]propanoic acid
CID 110454171
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
CID 110454054
N-[2-(dimethylamino)ethyl]-4-(3-hydroxypropyl)benzenesulfonamide
CID 39387794
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 82164625
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164
3-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 115328557
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide (CID 110454140) is N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide is CN(C)CCNS(=O)(=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide?
The InChIKey is WGXNDTVPAWAFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(2)12-11-17-21(19,20)15-5-3-13(4-6-15)14-7-9-16-10-8-14/h3-10,17H,11-12H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 110454140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).