4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide

C19H20N2O3S — CID 34696726

IUPAC4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
SMILESCN(CCOc1ccc(S(N)(=O)=O)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3S/c1-21(17-7-6-15-4-2-3-5-16(15)14-17)12-13-24-18-8-10-19(11-9-18)25(20,22)23/h2-11,14H,12-13H2,1H3,(H2,20,22,23)
InChIKeyZHKGWVULWBOASA-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.00
Rot. Bonds6

About 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide

4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide (PubChem CID 34696726) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
PubChem CID34696726
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
SMILESCN(CCOc1ccc(S(N)(=O)=O)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3S/c1-21(17-7-6-15-4-2-3-5-16(15)14-17)12-13-24-18-8-10-19(11-9-18)25(20,22)23/h2-11,14H,12-13H2,1H3,(H2,20,22,23)
InChIKeyZHKGWVULWBOASA-UHFFFAOYSA-N
XLogP3.00
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)ethoxy]benzenesulfonamide
CID 22244704
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
4-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56564058
N,N-dimethyl-4-[2-[methyl(naphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 60572938
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetate
CID 25039582
4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578391
1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
CID 115199230
3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide
CID 9056065
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide?
The IUPAC name of 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide (CID 34696726) is 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide?
The canonical SMILES for 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide is CN(CCOc1ccc(S(N)(=O)=O)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide?
The InChIKey is ZHKGWVULWBOASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-21(17-7-6-15-4-2-3-5-16(15)14-17)12-13-24-18-8-10-19(11-9-18)25(20,22)23/h2-11,14H,12-13H2,1H3,(H2,20,22,23).
What are the key properties of 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide?
4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 34696726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).