4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide

C17H20N2O6S3 — CID 71808782

IUPAC4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N2O6S3/c18-27(22,23)16-6-8-17(9-7-16)28(24,25)19-12-10-15(11-13-19)26(20,21)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,18,22,23)
InChIKeyAVVYNRSSRFDMNL-UHFFFAOYSA-N
MW444.56 g/mol
LogP0.96
Rot. Bonds5

About 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide

4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 71808782) has the molecular formula C17H20N2O6S3 and a molecular weight of 444.56 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID71808782
Molecular FormulaC17H20N2O6S3
Molecular Weight444.56 g/mol
Exact Mass444.05
IUPAC Name4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N2O6S3/c18-27(22,23)16-6-8-17(9-7-16)28(24,25)19-12-10-15(11-13-19)26(20,21)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,18,22,23)
InChIKeyAVVYNRSSRFDMNL-UHFFFAOYSA-N
XLogP0.96
TPSA131.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
4-[4-(2-methylpropylsulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 90590371
1-(4-sulfamoylphenyl)sulfonylpiperidine-4-carboxamide
CID 3137783
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924

Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 71808782) is 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is AVVYNRSSRFDMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S3/c18-27(22,23)16-6-8-17(9-7-16)28(24,25)19-12-10-15(11-13-19)26(20,21)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,18,22,23).
What are the key properties of 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide?
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 71808782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).