N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide

C12H20N2O2S — CID 28707755

IUPACN-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
SMILESCCN(CCN)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C12H20N2O2S/c1-4-14(8-7-13)17(15,16)12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyYHQYHILVUSLUNU-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.27
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide

N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide (PubChem CID 28707755) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
PubChem CID28707755
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
SMILESCCN(CCN)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C12H20N2O2S/c1-4-14(8-7-13)17(15,16)12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8,13H2,1-3H3
InChIKeyYHQYHILVUSLUNU-UHFFFAOYSA-N
XLogP1.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide
CID 63767520
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 76910468
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]acetic acid
CID 54900564
N-(2-bromoethyl)-2,4-dimethyl-N-propylbenzenesulfonamide
CID 80672779
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 60846237
N-(2-aminoethyl)-N-ethyl-2-fluorobenzenesulfonamide;ethane
CID 91216358
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
CID 115755454
N-ethyl-2,4-dimethyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630272
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-2,4-dimethylbenzenesulfonamide
CID 107492877
N-[4-[4-[4-[4-aminobutyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl-(2,4,6-trimethylphenyl)sulfonylamino]butyl]-N-ethyl-2,4,6-trimethylbenzenesulfonamide
CID 11115779

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide (CID 28707755) is N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide is CCN(CCN)S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide?
The InChIKey is YHQYHILVUSLUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-14(8-7-13)17(15,16)12-6-5-10(2)9-11(12)3/h5-6,9H,4,7-8,13H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide?
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 28707755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).