3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol

C20H18O5S2 — CID 23937596

IUPAC3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol
SMILESO=S(=O)(CC(=CCO)S(=O)(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O5S2/c21-13-12-20(27(24,25)18-8-2-1-3-9-18)15-26(22,23)19-11-10-16-6-4-5-7-17(16)14-19/h1-12,14,21H,13,15H2
InChIKeyFRHGNSKOEVWKIE-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.96
Rot. Bonds6

About 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol

3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol (PubChem CID 23937596) has the molecular formula C20H18O5S2 and a molecular weight of 402.49 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol.

Molecular Properties

Compound Name3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol
PubChem CID23937596
Molecular FormulaC20H18O5S2
Molecular Weight402.49 g/mol
Exact Mass402.06
IUPAC Name3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol
SMILESO=S(=O)(CC(=CCO)S(=O)(=O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O5S2/c21-13-12-20(27(24,25)18-8-2-1-3-9-18)15-26(22,23)19-11-10-16-6-4-5-7-17(16)14-19/h1-12,14,21H,13,15H2
InChIKeyFRHGNSKOEVWKIE-UHFFFAOYSA-N
XLogP2.96
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-phenylprop-2-enylsulfonyl)naphthalene
CID 14925064
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
1-(4-bromophenyl)-2-naphthalen-2-ylsulfonylethanone
CID 7342256
naphthalene-2-sulfonic acid
CID 8420
2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide
CID 3938080
(3S)-3-methyl-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 69383125
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062
2-[(2-fluorophenyl)methylsulfonyl]naphthalene
CID 56732613
2-(2-azidoethylsulfonyl)naphthalene
CID 61396912
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 87246277
CID 87246277

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol?
The IUPAC name of 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol (CID 23937596) is 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol.
What is the SMILES notation for 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol?
The canonical SMILES for 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol is O=S(=O)(CC(=CCO)S(=O)(=O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol?
The InChIKey is FRHGNSKOEVWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O5S2/c21-13-12-20(27(24,25)18-8-2-1-3-9-18)15-26(22,23)19-11-10-16-6-4-5-7-17(16)14-19/h1-12,14,21H,13,15H2.
What are the key properties of 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol?
3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol has a molecular weight of 402.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-4-naphthalen-2-ylsulfonylbut-2-en-1-ol is sourced from PubChem (CID 23937596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).