6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

C23H28O2S — CID 154297646

IUPAC6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC(=CS(=O)(=O)c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O2S/c1-17(16-26(24,25)19-9-7-6-8-10-19)18-11-12-20-21(15-18)23(4,5)14-13-22(20,2)3/h6-12,15-16H,13-14H2,1-5H3
InChIKeyUXOVVNKFEWEUCR-UHFFFAOYSA-N
MW368.54 g/mol
LogP5.87
Rot. Bonds3

About 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene

6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (PubChem CID 154297646) has the molecular formula C23H28O2S and a molecular weight of 368.54 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
PubChem CID154297646
Molecular FormulaC23H28O2S
Molecular Weight368.54 g/mol
Exact Mass368.18
IUPAC Name6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
SMILESCC(=CS(=O)(=O)c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H28O2S/c1-17(16-26(24,25)19-9-7-6-8-10-19)18-11-12-20-21(15-18)23(4,5)14-13-22(20,2)3/h6-12,15-16H,13-14H2,1-5H3
InChIKeyUXOVVNKFEWEUCR-UHFFFAOYSA-N
XLogP5.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The IUPAC name of 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene (CID 154297646) is 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene.
What is the SMILES notation for 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The canonical SMILES for 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is CC(=CS(=O)(=O)c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
The InChIKey is UXOVVNKFEWEUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2S/c1-17(16-26(24,25)19-9-7-6-8-10-19)18-11-12-20-21(15-18)23(4,5)14-13-22(20,2)3/h6-12,15-16H,13-14H2,1-5H3.
What are the key properties of 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene?
6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene has a molecular weight of 368.54 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 154297646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).