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

C14H25N3O3S — CID 106034374

IUPAC4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C14H25N3O3S/c1-3-17(4-2)11-10-16-21(18,19)14-7-5-13(6-8-14)20-12-9-15/h5-8,16H,3-4,9-12,15H2,1-2H3
InChIKeyWOUUGQXSGNKKDT-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.64
Rot. Bonds10

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

4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 106034374) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID106034374
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(OCCN)cc1
InChIInChI=1S/C14H25N3O3S/c1-3-17(4-2)11-10-16-21(18,19)14-7-5-13(6-8-14)20-12-9-15/h5-8,16H,3-4,9-12,15H2,1-2H3
InChIKeyWOUUGQXSGNKKDT-UHFFFAOYSA-N
XLogP0.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962
4-(2-aminoethoxy)-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 106066211
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
N-(3-aminopropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119962062
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078716
4-(2-aminoethoxy)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079912
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 106034374) is 4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(OCCN)cc1.
What is the InChIKey of 4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is WOUUGQXSGNKKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-3-17(4-2)11-10-16-21(18,19)14-7-5-13(6-8-14)20-12-9-15/h5-8,16H,3-4,9-12,15H2,1-2H3.
What are the key properties of 4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide?
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 106034374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).