4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide

C20H19NO3S — CID 3781251

IUPAC4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C20H19NO3S/c1-3-21(20-10-6-8-17-7-4-5-9-19(17)20)25(23,24)18-13-11-16(12-14-18)15(2)22/h4-14H,3H2,1-2H3
InChIKeyBIXYRMCDDSXXOY-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.26
Rot. Bonds5

About 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide

4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 3781251) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID3781251
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC Name4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C20H19NO3S/c1-3-21(20-10-6-8-17-7-4-5-9-19(17)20)25(23,24)18-13-11-16(12-14-18)15(2)22/h4-14H,3H2,1-2H3
InChIKeyBIXYRMCDDSXXOY-UHFFFAOYSA-N
XLogP4.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
CID 5180970
4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 78767045
3-[(4-bromophenyl)sulfonyl-naphthalen-1-ylamino]propanoic acid
CID 50893880
N-ethyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 14196335
[[4-[(4-acetylphenyl)sulfonyl-ethylamino]isoquinolin-1-yl]-(4-cyanophenyl)sulfonylamino]methyl formate
CID 165013474
N-ethyl-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 2442734
(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
CID 95625088
3-[methylsulfonyl(naphthalen-1-yl)amino]propanoic acid
CID 50895842
4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 43274837
N-[3-(dibutylamino)-2-hydroxypropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 3346983
2-(4-acetyl-N-(4-methylphenyl)sulfonylanilino)-N-benzylacetamide
CID 17433674
N-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-4-methyl-N-naphthalen-1-ylbenzenesulfonamide
CID 6971071

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide (CID 3781251) is 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide is CCN(c1cccc2ccccc12)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is BIXYRMCDDSXXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-3-21(20-10-6-8-17-7-4-5-9-19(17)20)25(23,24)18-13-11-16(12-14-18)15(2)22/h4-14H,3H2,1-2H3.
What are the key properties of 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide?
4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 3781251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).