1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine

C18H20ClNO4S2 — CID 23820476

IUPAC1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C18H20ClNO4S2/c1-14-9-11-20(12-10-14)26(23,24)18-4-2-3-17(13-18)25(21,22)16-7-5-15(19)6-8-16/h2-8,13-14H,9-12H2,1H3
InChIKeyOJKDSKFTEVMHRN-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.59
Rot. Bonds4

About 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine

1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine (PubChem CID 23820476) has the molecular formula C18H20ClNO4S2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine
PubChem CID23820476
Molecular FormulaC18H20ClNO4S2
Molecular Weight413.95 g/mol
Exact Mass413.05
IUPAC Name1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine
SMILESCC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C18H20ClNO4S2/c1-14-9-11-20(12-10-14)26(23,24)18-4-2-3-17(13-18)25(21,22)16-7-5-15(19)6-8-16/h2-8,13-14H,9-12H2,1H3
InChIKeyOJKDSKFTEVMHRN-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
1-(1-adamantyl)-4-[3-(4-chlorophenyl)sulfonylphenyl]sulfonylpiperazine
CID 5026297
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
N-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]formamide
CID 168652488
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine (CID 23820476) is 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine is CC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine?
The InChIKey is OJKDSKFTEVMHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S2/c1-14-9-11-20(12-10-14)26(23,24)18-4-2-3-17(13-18)25(21,22)16-7-5-15(19)6-8-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine?
1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine has a molecular weight of 413.95 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfonylphenyl]sulfonyl-4-methylpiperidine is sourced from PubChem (CID 23820476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).