N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide

C12H20N2O3S — CID 104538372

IUPACN-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
SMILESCN(C)CCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-14(2)9-11-17-10-8-13-18(15,16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeySDWGNGLLGDFDOG-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.54
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide

N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide (PubChem CID 104538372) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
PubChem CID104538372
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
SMILESCN(C)CCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H20N2O3S/c1-14(2)9-11-17-10-8-13-18(15,16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeySDWGNGLLGDFDOG-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.54
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

4-(cyanomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 103080920
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
CID 63766574
N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
CID 123703958
1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
CID 160918507
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-fluoropyridine-2-sulfonamide
CID 114127258
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonyl-[2-[2-[(4-methylphenyl)sulfonylamino]ethoxy]ethyl]amino]ethoxy]ethyl]benzenesulfonamide
CID 10532319
N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide
CID 123390422
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide
CID 110425143
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 106001370

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide (CID 104538372) is N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide is CN(C)CCOCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide?
The InChIKey is SDWGNGLLGDFDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-14(2)9-11-17-10-8-13-18(15,16)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide?
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 104538372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).