N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide

C13H23N3O2S — CID 43332072

IUPACN-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-16(5-2)11-10-15-19(17,18)13-8-6-12(14-3)7-9-13/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyNWSYNEWKSGRQHY-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.35
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide

N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide (PubChem CID 43332072) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
PubChem CID43332072
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(NC)cc1
InChIInChI=1S/C13H23N3O2S/c1-4-16(5-2)11-10-15-19(17,18)13-8-6-12(14-3)7-9-13/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyNWSYNEWKSGRQHY-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

4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62640211
N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106034867
3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide (CID 43332072) is N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(NC)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide?
The InChIKey is NWSYNEWKSGRQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-16(5-2)11-10-15-19(17,18)13-8-6-12(14-3)7-9-13/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide?
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide 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 N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 43332072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).