4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine

C20H25NO4S2 — CID 90589463

IUPAC4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO4S2/c1-2-6-17-9-11-20(12-10-17)27(24,25)21-15-13-19(14-16-21)26(22,23)18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-16H2,1H3
InChIKeyQWABIYDEYMNUFF-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.27
Rot. Bonds6

About 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine

4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine (PubChem CID 90589463) has the molecular formula C20H25NO4S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
PubChem CID90589463
Molecular FormulaC20H25NO4S2
Molecular Weight407.56 g/mol
Exact Mass407.12
IUPAC Name4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO4S2/c1-2-6-17-9-11-20(12-10-17)27(24,25)21-15-13-19(14-16-21)26(22,23)18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-16H2,1H3
InChIKeyQWABIYDEYMNUFF-UHFFFAOYSA-N
XLogP3.27
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
3-chloro-1-(4-propylphenyl)sulfonylpyrrolidine
CID 63400652
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane
CID 3870068
7-(2-chlorophenyl)-4-(4-propylphenyl)sulfonyl-1,4-thiazepane
CID 121163612
(3R)-3-(benzenesulfonyl)-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 97354919
1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine
CID 46086776

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine (CID 90589463) is 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine is CCCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine?
The InChIKey is QWABIYDEYMNUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S2/c1-2-6-17-9-11-20(12-10-17)27(24,25)21-15-13-19(14-16-21)26(22,23)18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-16H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine?
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine has a molecular weight of 407.56 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine is sourced from PubChem (CID 90589463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).