2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine

C24H23Br2NO2S — CID 164682679

IUPAC2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccc(Br)cc3)CC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H23Br2NO2S/c1-17-2-12-23(13-3-17)30(28,29)27-15-14-20(18-4-8-21(25)9-5-18)16-24(27)19-6-10-22(26)11-7-19/h2-13,20,24H,14-16H2,1H3
InChIKeyJTQVGTQCBNMTPX-UHFFFAOYSA-N
MW549.33 g/mol
LogP6.83
Rot. Bonds4

About 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine

2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 164682679) has the molecular formula C24H23Br2NO2S and a molecular weight of 549.33 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID164682679
Molecular FormulaC24H23Br2NO2S
Molecular Weight549.33 g/mol
Exact Mass546.98
IUPAC Name2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccc(Br)cc3)CC2c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H23Br2NO2S/c1-17-2-12-23(13-3-17)30(28,29)27-15-14-20(18-4-8-21(25)9-5-18)16-24(27)19-6-10-22(26)11-7-19/h2-13,20,24H,14-16H2,1H3
InChIKeyJTQVGTQCBNMTPX-UHFFFAOYSA-N
XLogP6.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.33
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682677
(2R)-2-(4-bromophenyl)-1-(4-methylphenyl)sulfonylaziridine
CID 7360494
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane
CID 101395837
N-[(2S,4S)-2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 102416693
5-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 78141036
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
1-(4-bromophenyl)sulfonyl-2-(4-methoxyphenyl)pyrrolidine
CID 17486697
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2S,4aR,7S,8aS)-1-(4-bromophenyl)sulfonyl-6-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,4a,5,7,8,8a-hexahydro-2H-1,6-naphthyridin-4-one
CID 51359275

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine (CID 164682679) is 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCC(c3ccc(Br)cc3)CC2c2ccc(Br)cc2)cc1.
What is the InChIKey of 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is JTQVGTQCBNMTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Br2NO2S/c1-17-2-12-23(13-3-17)30(28,29)27-15-14-20(18-4-8-21(25)9-5-18)16-24(27)19-6-10-22(26)11-7-19/h2-13,20,24H,14-16H2,1H3.
What are the key properties of 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine?
2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 549.33 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 164682679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).