N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide

C13H22N2O3S — CID 95969876

IUPACN-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C)C)c(C)c1C
InChIInChI=1S/C13H22N2O3S/c1-10-11(2)13(7-6-12(10)18-5)19(16,17)14-8-9-15(3)4/h6-7,14H,8-9H2,1-5H3
InChIKeyZJZILIRHXBZBCW-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.15
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide

N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 95969876) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID95969876
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C)C)c(C)c1C
InChIInChI=1S/C13H22N2O3S/c1-10-11(2)13(7-6-12(10)18-5)19(16,17)14-8-9-15(3)4/h6-7,14H,8-9H2,1-5H3
InChIKeyZJZILIRHXBZBCW-UHFFFAOYSA-N
XLogP1.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 100553033
2-chloro-N-(4-methoxy-2,3-dimethylphenyl)sulfonylacetamide
CID 167993137
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
4-ethoxy-N-(2-methoxyethyl)-2,3-dimethylbenzenesulfonamide
CID 15943936
3-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 134282662
N-[2-[(2,4-dimethoxy-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 110758714
N-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide bromide
CID 82018186
3,5-dichloro-N-[2-(dimethylamino)ethyl]-2-methoxybenzenesulfonamide
CID 110758543
N-[2-(dimethylamino)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112991494
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 95969876) is N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCN(C)C)c(C)c1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is ZJZILIRHXBZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10-11(2)13(7-6-12(10)18-5)19(16,17)14-8-9-15(3)4/h6-7,14H,8-9H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.15, 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-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 95969876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).