4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide

C26H31N3O2S2 — CID 154703160

IUPAC4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(N3CCC(Sc4cccc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C26H31N3O2S2/c27-33(30,31)24-10-8-21(9-11-24)28-16-12-22(13-17-28)29-18-14-23(15-19-29)32-26-7-3-5-20-4-1-2-6-25(20)26/h1-11,22-23H,12-19H2,(H2,27,30,31)
InChIKeyJINWANFNXWWUOK-UHFFFAOYSA-N
MW481.69 g/mol
LogP4.71
Rot. Bonds5

About 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide

4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide (PubChem CID 154703160) has the molecular formula C26H31N3O2S2 and a molecular weight of 481.69 g/mol. Its IUPAC name is 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide
PubChem CID154703160
Molecular FormulaC26H31N3O2S2
Molecular Weight481.69 g/mol
Exact Mass481.19
IUPAC Name4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCC(N3CCC(Sc4cccc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C26H31N3O2S2/c27-33(30,31)24-10-8-21(9-11-24)28-16-12-22(13-17-28)29-18-14-23(15-19-29)32-26-7-3-5-20-4-1-2-6-25(20)26/h1-11,22-23H,12-19H2,(H2,27,30,31)
InChIKeyJINWANFNXWWUOK-UHFFFAOYSA-N
XLogP4.71
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.69
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(cyclohexylsulfanylmethyl)piperidin-1-yl]benzenesulfonamide
CID 154706179
4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide
CID 154703782
4-(4-piperidin-1-ylpiperidin-1-yl)benzenesulfonic acid
CID 22146992
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
4-[4-(azepan-1-ylmethyl)piperidin-1-yl]benzenesulfonamide
CID 146142611
2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 167519802
1-(4-methylsulfonylphenyl)-4-pyrrolidin-1-ylazepane
CID 136529901
4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide
CID 146149057
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide (CID 154703160) is 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCC(N3CCC(Sc4cccc5ccccc45)CC3)CC2)cc1.
What is the InChIKey of 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide?
The InChIKey is JINWANFNXWWUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S2/c27-33(30,31)24-10-8-21(9-11-24)28-16-12-22(13-17-28)29-18-14-23(15-19-29)32-26-7-3-5-20-4-1-2-6-25(20)26/h1-11,22-23H,12-19H2,(H2,27,30,31).
What are the key properties of 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide?
4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide has a molecular weight of 481.69 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-naphthalen-1-ylsulfanylpiperidin-1-yl)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 154703160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).