4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide

C16H19ClN2O5S2 — CID 56578391

IUPAC4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
SMILESCN(CCOc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C16H19ClN2O5S2/c1-19(9-10-24-13-5-3-12(17)4-6-13)15-8-7-14(26(18,22)23)11-16(15)25(2,20)21/h3-8,11H,9-10H2,1-2H3,(H2,18,22,23)
InChIKeyNQLLTMNWXCGPEU-UHFFFAOYSA-N
MW418.92 g/mol
LogP1.91
Rot. Bonds7

About 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide

4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide (PubChem CID 56578391) has the molecular formula C16H19ClN2O5S2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
PubChem CID56578391
Molecular FormulaC16H19ClN2O5S2
Molecular Weight418.92 g/mol
Exact Mass418.04
IUPAC Name4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
SMILESCN(CCOc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C16H19ClN2O5S2/c1-19(9-10-24-13-5-3-12(17)4-6-13)15-8-7-14(26(18,22)23)11-16(15)25(2,20)21/h3-8,11H,9-10H2,1-2H3,(H2,18,22,23)
InChIKeyNQLLTMNWXCGPEU-UHFFFAOYSA-N
XLogP1.91
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56564058
4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
CID 34696726
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 9252524
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
3-methylsulfonyl-4-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]benzenesulfonamide
CID 56578932
4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-methylsulfonylbenzenesulfonamide
CID 56563992
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
N-[2-(4-chlorophenoxy)ethyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60959564
1-[4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-nitrophenyl]ethanone
CID 9183786

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide (CID 56578391) is 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide is CN(CCOc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cc1S(C)(=O)=O.
What is the InChIKey of 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide?
The InChIKey is NQLLTMNWXCGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O5S2/c1-19(9-10-24-13-5-3-12(17)4-6-13)15-8-7-14(26(18,22)23)11-16(15)25(2,20)21/h3-8,11H,9-10H2,1-2H3,(H2,18,22,23).
What are the key properties of 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide?
4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide has a molecular weight of 418.92 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 56578391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).