N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide

C13H22N2O2S — CID 28715770

IUPACN,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-14-11-12-7-9-13(10-8-12)18(16,17)15(5-2)6-3/h7-10,14H,4-6,11H2,1-3H3
InChIKeyVYXFQUKATFRNEG-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.83
Rot. Bonds7

About N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide

N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide (PubChem CID 28715770) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
PubChem CID28715770
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-14-11-12-7-9-13(10-8-12)18(16,17)15(5-2)6-3/h7-10,14H,4-6,11H2,1-3H3
InChIKeyVYXFQUKATFRNEG-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79479965
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 119121752
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
[4-(diethylsulfamoyl)phenyl]methylazanium
CID 7129046
4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 60823872
N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-difluorobenzamide
CID 26423277
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 47611564

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide (CID 28715770) is N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide?
The InChIKey is VYXFQUKATFRNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-14-11-12-7-9-13(10-8-12)18(16,17)15(5-2)6-3/h7-10,14H,4-6,11H2,1-3H3.
What are the key properties of N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide?
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 28715770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).