N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide

C20H21NO2S — CID 100530394

IUPACN-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
SMILESCCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H21NO2S/c1-4-21(20-13-15(2)9-10-16(20)3)24(22,23)19-12-11-17-7-5-6-8-18(17)14-19/h5-14H,4H2,1-3H3
InChIKeyOKZKHWYVMSKILU-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.67
Rot. Bonds4

About N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide

N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide (PubChem CID 100530394) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
PubChem CID100530394
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
SMILESCCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H21NO2S/c1-4-21(20-13-15(2)9-10-16(20)3)24(22,23)19-12-11-17-7-5-6-8-18(17)14-19/h5-14H,4H2,1-3H3
InChIKeyOKZKHWYVMSKILU-UHFFFAOYSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
N-[4-[(2,5-dimethylphenyl)-ethylsulfamoyl]phenyl]acetamide
CID 94622687
N-ethyl-N-(2-methyl-3-nitrophenyl)naphthalene-2-sulfonamide
CID 100534438
N-ethyl-N-(2-methyl-5-nitrophenyl)-4-nitrobenzenesulfonamide
CID 100528608
N-ethyl-3-hydroxy-N-(5-hydroxy-2-methylphenyl)benzenesulfonamide
CID 107736872
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530275
methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530154
N-ethyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 14196335
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]acetyl chloride
CID 50891647
N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide
CID 3750088
N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530628
N-(2,3-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100532351

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide (CID 100530394) is N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide is CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide?
The InChIKey is OKZKHWYVMSKILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-4-21(20-13-15(2)9-10-16(20)3)24(22,23)19-12-11-17-7-5-6-8-18(17)14-19/h5-14H,4H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide?
N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide has a molecular weight of 339.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide is sourced from PubChem (CID 100530394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).