4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine

C21H21NO4S2 — CID 90589478

IUPAC4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H21NO4S2/c23-27(24,18-9-2-1-3-10-18)19-13-15-22(16-14-19)28(25,26)21-12-6-8-17-7-4-5-11-20(17)21/h1-12,19H,13-16H2
InChIKeyGCVLORNRQCGCDA-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.47
Rot. Bonds4

About 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine

4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine (PubChem CID 90589478) has the molecular formula C21H21NO4S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
PubChem CID90589478
Molecular FormulaC21H21NO4S2
Molecular Weight415.54 g/mol
Exact Mass415.09
IUPAC Name4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C21H21NO4S2/c23-27(24,18-9-2-1-3-10-18)19-13-15-22(16-14-19)28(25,26)21-12-6-8-17-7-4-5-11-20(17)21/h1-12,19H,13-16H2
InChIKeyGCVLORNRQCGCDA-UHFFFAOYSA-N
XLogP3.47
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
3-bromo-4-methyl-1-naphthalen-1-ylsulfonylpiperidine
CID 102962673
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
3-(benzenesulfonyl)-1-(2-bromophenyl)sulfonylpyrrolidine
CID 90585024
3-(2-chloroethyl)-1-naphthalen-1-ylsulfonylpyrrolidine
CID 114801891
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548
3-[4-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)phenyl]propanoic acid
CID 139619054
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine?
The IUPAC name of 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine (CID 90589478) is 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine.
What is the SMILES notation for 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine?
The canonical SMILES for 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine is O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine?
The InChIKey is GCVLORNRQCGCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S2/c23-27(24,18-9-2-1-3-10-18)19-13-15-22(16-14-19)28(25,26)21-12-6-8-17-7-4-5-11-20(17)21/h1-12,19H,13-16H2.
What are the key properties of 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine?
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine has a molecular weight of 415.54 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine is sourced from PubChem (CID 90589478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).