3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide

C21H23NO4S — CID 9056065

IUPAC3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)cc1OCC
InChIInChI=1S/C21H23NO4S/c1-4-25-20-13-12-19(15-21(20)26-5-2)27(23,24)22(3)18-11-10-16-8-6-7-9-17(16)14-18/h6-15H,4-5H2,1-3H3
InChIKeyFFENEXGCZKBAQW-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.46
Rot. Bonds7

About 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide

3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide (PubChem CID 9056065) has the molecular formula C21H23NO4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide
PubChem CID9056065
Molecular FormulaC21H23NO4S
Molecular Weight385.49 g/mol
Exact Mass385.13
IUPAC Name3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)cc1OCC
InChIInChI=1S/C21H23NO4S/c1-4-25-20-13-12-19(15-21(20)26-5-2)27(23,24)22(3)18-11-10-16-8-6-7-9-17(16)14-18/h6-15H,4-5H2,1-3H3
InChIKeyFFENEXGCZKBAQW-UHFFFAOYSA-N
XLogP4.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxyphenyl)-N-methylnaphthalene-2-sulfonamide
CID 100535072
2-[(3,4-diethoxyphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)benzamide
CID 17427772
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
[4-[benzenesulfonyl(methyl)amino]phenyl] 2-(2-ethoxyphenoxy)acetate
CID 4812581
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 99695461
2,2,2-trifluoro-N-[4-[methyl(naphthalen-2-yl)sulfamoyl]phenyl]acetamide
CID 55878446
4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
CID 34696726
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 95969458
N-(4-ethoxyphenyl)-N-methyl-4-nitrobenzenesulfonamide
CID 99705183
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100797278
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-(4-ethoxyphenyl)benzamide
CID 2228680
3,4-diethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
CID 9188620

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide?
The IUPAC name of 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide (CID 9056065) is 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide?
The canonical SMILES for 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)c2ccc3ccccc3c2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide?
The InChIKey is FFENEXGCZKBAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4S/c1-4-25-20-13-12-19(15-21(20)26-5-2)27(23,24)22(3)18-11-10-16-8-6-7-9-17(16)14-18/h6-15H,4-5H2,1-3H3.
What are the key properties of 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide?
3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide has a molecular weight of 385.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-methyl-N-naphthalen-2-ylbenzenesulfonamide is sourced from PubChem (CID 9056065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).