N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide

C16H28N2O3S — CID 110425143

IUPACN-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOCCN(CC)CC)cc1
InChIInChI=1S/C16H28N2O3S/c1-4-15-7-9-16(10-8-15)22(19,20)17-11-13-21-14-12-18(5-2)6-3/h7-10,17H,4-6,11-14H2,1-3H3
InChIKeyDXIGJJNVCFSGRJ-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.89
Rot. Bonds11

About N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide

N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide (PubChem CID 110425143) has the molecular formula C16H28N2O3S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide
PubChem CID110425143
Molecular FormulaC16H28N2O3S
Molecular Weight328.48 g/mol
Exact Mass328.18
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOCCN(CC)CC)cc1
InChIInChI=1S/C16H28N2O3S/c1-4-15-7-9-16(10-8-15)22(19,20)17-11-13-21-14-12-18(5-2)6-3/h7-10,17H,4-6,11-14H2,1-3H3
InChIKeyDXIGJJNVCFSGRJ-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(diethylamino)ethoxy]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110604182
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 139969428
N-[2-(2-bromoethoxy)ethyl]-4-propylbenzenesulfonamide
CID 113271420
4-(bromomethyl)-N-(2-butoxyethyl)benzenesulfonamide
CID 65480429
4-(cyanomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 103080920
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonyl-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]benzenesulfonamide
CID 10532319
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110425166

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide (CID 110425143) is N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCCOCCN(CC)CC)cc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide?
The InChIKey is DXIGJJNVCFSGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3S/c1-4-15-7-9-16(10-8-15)22(19,20)17-11-13-21-14-12-18(5-2)6-3/h7-10,17H,4-6,11-14H2,1-3H3.
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide?
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide has a molecular weight of 328.48 g/mol, XLogP of 1.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 110425143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).