4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine

C18H20ClNO4S2 — CID 90589474

IUPAC4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C18H20ClNO4S2/c1-14-7-8-17(13-18(14)19)26(23,24)20-11-9-16(10-12-20)25(21,22)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3
InChIKeyMNHWGSWKKQSROW-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.28
Rot. Bonds4

About 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine

4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine (PubChem CID 90589474) has the molecular formula C18H20ClNO4S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
PubChem CID90589474
Molecular FormulaC18H20ClNO4S2
Molecular Weight413.95 g/mol
Exact Mass413.05
IUPAC Name4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C18H20ClNO4S2/c1-14-7-8-17(13-18(14)19)26(23,24)20-11-9-16(10-12-20)25(21,22)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3
InChIKeyMNHWGSWKKQSROW-UHFFFAOYSA-N
XLogP3.28
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 90584959
1-(3-chloro-4-methylphenyl)sulfonyl-3-(4-chlorophenyl)sulfonylazetidine
CID 90595182
4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
CID 90589542
1-[3-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 90589462
4-[4-(benzenesulfonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 71808782
4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
2-(3-chloro-4-methylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867913
4-(benzenesulfonyl)-1-[4-(4-fluorophenyl)phenyl]sulfonylpiperidine
CID 90589531
1-(5-chloro-2-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 71808843
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181
1-(3-chloro-4-methylphenyl)sulfonyl-4-cyclopropylidenepiperidine
CID 121187216

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine (CID 90589474) is 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1Cl.
What is the InChIKey of 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine?
The InChIKey is MNHWGSWKKQSROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S2/c1-14-7-8-17(13-18(14)19)26(23,24)20-11-9-16(10-12-20)25(21,22)15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine?
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine has a molecular weight of 413.95 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 90589474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).