N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide

C15H27N3O2S — CID 106032666

IUPACN-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(CC)c(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-5-14-8-7-13(12-16-6-2)11-15(14)21(19,20)17-9-10-18(3)4/h7-8,11,16-17H,5-6,9-10,12H2,1-4H3
InChIKeyCYLIYACCMHAVKJ-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.20
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide

N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide (PubChem CID 106032666) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
PubChem CID106032666
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(CC)c(S(=O)(=O)NCCN(C)C)c1
InChIInChI=1S/C15H27N3O2S/c1-5-14-8-7-13(12-16-6-2)11-15(14)21(19,20)17-9-10-18(3)4/h7-8,11,16-17H,5-6,9-10,12H2,1-4H3
InChIKeyCYLIYACCMHAVKJ-UHFFFAOYSA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-(dimethylamino)ethyl]-5-(propylaminomethyl)benzenesulfonamide
CID 106032753
N-(2,2-difluoroethyl)-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 115409199
2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
CID 106055804
2-ethyl-N',N'-dimethyl-5-(propylaminomethyl)benzenesulfonohydrazide
CID 106074662
5-chloro-N-[2-(dimethylamino)ethyl]-3-(ethylaminomethyl)-2-methylbenzenesulfonamide
CID 106032746
2-ethyl-5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079789
2-bromo-5-(ethylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058095
N-(3,3-dimethylbutyl)-5-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 106085625
5-[(cyclopropylamino)methyl]-N-[2-(dimethylamino)ethyl]-2-methylbenzenesulfonamide
CID 106032651
5-(ethylaminomethyl)-2-methyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106078070
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-2-methoxybenzenesulfonamide
CID 106019817

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide (CID 106032666) is N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccc(CC)c(S(=O)(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is CYLIYACCMHAVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-5-14-8-7-13(12-16-6-2)11-15(14)21(19,20)17-9-10-18(3)4/h7-8,11,16-17H,5-6,9-10,12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide?
N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106032666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).