4-[2-(dimethylamino)ethoxy]benzenesulfonamide

C10H16N2O3S — CID 22244704

IUPAC4-[2-(dimethylamino)ethoxy]benzenesulfonamide
SMILESCN(C)CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O3S/c1-12(2)7-8-15-9-3-5-10(6-4-9)16(11,13)14/h3-6H,7-8H2,1-2H3,(H2,11,13,14)
InChIKeyIRIGVOZTLXJUNH-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.27
Rot. Bonds5

About 4-[2-(dimethylamino)ethoxy]benzenesulfonamide

4-[2-(dimethylamino)ethoxy]benzenesulfonamide (PubChem CID 22244704) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]benzenesulfonamide
PubChem CID22244704
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-[2-(dimethylamino)ethoxy]benzenesulfonamide
SMILESCN(C)CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O3S/c1-12(2)7-8-15-9-3-5-10(6-4-9)16(11,13)14/h3-6H,7-8H2,1-2H3,(H2,11,13,14)
InChIKeyIRIGVOZTLXJUNH-UHFFFAOYSA-N
XLogP0.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
CID 34696726
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
4-[2-(dimethylamino)ethoxy]-3-fluorobenzenesulfonamide
CID 82921210
4-[3-(dimethylamino)propoxy]benzenesulfonyl chloride;hydrochloride
CID 87727140
4-[(4-butoxyphenyl)diazenyl]benzenesulfonamide
CID 3089332
2-(4-sulfamoylphenoxy)ethyl 3-(4-methoxyphenoxy)propanoate
CID 34429524
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]ethoxy]benzenesulfonamide
CID 34712914
4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56564058
4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578391

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]benzenesulfonamide (CID 22244704) is 4-[2-(dimethylamino)ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]benzenesulfonamide is CN(C)CCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]benzenesulfonamide?
The InChIKey is IRIGVOZTLXJUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-12(2)7-8-15-9-3-5-10(6-4-9)16(11,13)14/h3-6H,7-8H2,1-2H3,(H2,11,13,14).
What are the key properties of 4-[2-(dimethylamino)ethoxy]benzenesulfonamide?
4-[2-(dimethylamino)ethoxy]benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]benzenesulfonamide is sourced from PubChem (CID 22244704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).