4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine

C23H22ClNO4S2 — CID 90589542

IUPAC4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H22ClNO4S2/c24-20-11-9-18(10-12-20)19-5-4-8-23(17-19)31(28,29)25-15-13-22(14-16-25)30(26,27)21-6-2-1-3-7-21/h1-12,17,22H,13-16H2
InChIKeyCWUDMSAILYQHHU-UHFFFAOYSA-N
MW476.02 g/mol
LogP4.63
Rot. Bonds5

About 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine

4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine (PubChem CID 90589542) has the molecular formula C23H22ClNO4S2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
PubChem CID90589542
Molecular FormulaC23H22ClNO4S2
Molecular Weight476.02 g/mol
Exact Mass475.07
IUPAC Name4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H22ClNO4S2/c24-20-11-9-18(10-12-20)19-5-4-8-23(17-19)31(28,29)25-15-13-22(14-16-25)30(26,27)21-6-2-1-3-7-21/h1-12,17,22H,13-16H2
InChIKeyCWUDMSAILYQHHU-UHFFFAOYSA-N
XLogP4.63
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenyl)phenyl]sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595250
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-(3-phenylphenyl)sulfonylpiperidine
CID 90592493
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589924
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1,3-bis[(4-chlorophenyl)sulfonyl]pyrrolidine
CID 90587928
3-(4-chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidine
CID 90587938
N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592892
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine (CID 90589542) is 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine is O=S(=O)(c1ccccc1)C1CCN(S(=O)(=O)c2cccc(-c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine?
The InChIKey is CWUDMSAILYQHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4S2/c24-20-11-9-18(10-12-20)19-5-4-8-23(17-19)31(28,29)25-15-13-22(14-16-25)30(26,27)21-6-2-1-3-7-21/h1-12,17,22H,13-16H2.
What are the key properties of 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine?
4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine has a molecular weight of 476.02 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 90589542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).