(E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide

C21H21NO2S — CID 90481118

IUPAC(E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-15-13-16(2)19(17(3)14-15)11-12-25(23,24)22-21-10-6-8-18-7-4-5-9-20(18)21/h4-14,22H,1-3H3/b12-11+
InChIKeyIBZWYLAIUQXWNC-VAWYXSNFSA-N
MW351.47 g/mol
LogP5.18
Rot. Bonds4

About (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide

(E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide (PubChem CID 90481118) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
PubChem CID90481118
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name(E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
SMILESCc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C21H21NO2S/c1-15-13-16(2)19(17(3)14-15)11-12-25(23,24)22-21-10-6-8-18-7-4-5-9-20(18)21/h4-14,22H,1-3H3/b12-11+
InChIKeyIBZWYLAIUQXWNC-VAWYXSNFSA-N
XLogP5.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide (CID 90481118) is (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide is Cc1cc(C)c(/C=C/S(=O)(=O)Nc2cccc3ccccc23)c(C)c1.
What is the InChIKey of (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
The InChIKey is IBZWYLAIUQXWNC-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-15-13-16(2)19(17(3)14-15)11-12-25(23,24)22-21-10-6-8-18-7-4-5-9-20(18)21/h4-14,22H,1-3H3/b12-11+.
What are the key properties of (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide?
(E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide is sourced from PubChem (CID 90481118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).