1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine

C14H19BrClNO2S — CID 114594707

IUPAC1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C14H19BrClNO2S/c1-9-6-10(2)11(3)17(8-9)20(18,19)14-5-4-12(15)7-13(14)16/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyWQDAHIQEBPYBGR-UHFFFAOYSA-N
MW380.74 g/mol
LogP4.16
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine

1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine (PubChem CID 114594707) has the molecular formula C14H19BrClNO2S and a molecular weight of 380.74 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
PubChem CID114594707
Molecular FormulaC14H19BrClNO2S
Molecular Weight380.74 g/mol
Exact Mass379.00
IUPAC Name1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine
SMILESCC1CC(C)C(C)N(S(=O)(=O)c2ccc(Br)cc2Cl)C1
InChIInChI=1S/C14H19BrClNO2S/c1-9-6-10(2)11(3)17(8-9)20(18,19)14-5-4-12(15)7-13(14)16/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyWQDAHIQEBPYBGR-UHFFFAOYSA-N
XLogP4.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591883
1-(4-bromo-3-methylphenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 114594701
1-(4-bromo-3-fluorophenyl)sulfonyl-2,3,5-trimethylpiperidine
CID 107650396
1-(4-bromo-2-chlorophenyl)sulfonyl-4-methylazepane
CID 62044969
[2-chloro-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanol
CID 107090902
[3-methyl-4-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 106997178
4-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperazin-2-one
CID 63361954
1-(4-bromo-2-chlorophenyl)sulfonylazetidin-3-amine
CID 65244581
[1-(4-bromo-2-chlorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984801
1-[2-(chloromethyl)-5-fluorophenyl]sulfonyl-2,3,5-trimethylpiperidine
CID 102920193
4-bromo-2-chloro-1-methylsulfonylbenzene
CID 23093061
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine (CID 114594707) is 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine is CC1CC(C)C(C)N(S(=O)(=O)c2ccc(Br)cc2Cl)C1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine?
The InChIKey is WQDAHIQEBPYBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2S/c1-9-6-10(2)11(3)17(8-9)20(18,19)14-5-4-12(15)7-13(14)16/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine?
1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine has a molecular weight of 380.74 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)sulfonyl-2,3,5-trimethylpiperidine is sourced from PubChem (CID 114594707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).