2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide

C13H23N3O2S — CID 43454301

IUPAC2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
SMILESCCN(CC)CCNc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O2S/c1-4-16(5-2)11-10-15-12-8-6-7-9-13(12)19(17,18)14-3/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyCMUYOIKJXMKYSS-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.35
Rot. Bonds8

About 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide

2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 43454301) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
PubChem CID43454301
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide
SMILESCCN(CC)CCNc1ccccc1S(=O)(=O)NC
InChIInChI=1S/C13H23N3O2S/c1-4-16(5-2)11-10-15-12-8-6-7-9-13(12)19(17,18)14-3/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyCMUYOIKJXMKYSS-UHFFFAOYSA-N
XLogP1.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62639985
2-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43454463
N-[2-(diethylamino)ethyl]-2-(ethylamino)benzenesulfonamide
CID 62150418
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
2-[2-(diethylamino)ethylamino]cyclohepta-2,4,6-trien-1-one;dihydrochloride
CID 138398310
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-(6-aminohexylamino)-N-methylbenzenesulfonamide
CID 107845260
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43454307
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide (CID 43454301) is 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide is CCN(CC)CCNc1ccccc1S(=O)(=O)NC.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is CMUYOIKJXMKYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-16(5-2)11-10-15-12-8-6-7-9-13(12)19(17,18)14-3/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide?
2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43454301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).