1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine

C15H22BrNO2S — CID 63421307

IUPAC1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO2S/c1-3-15(4-2)8-10-17(11-9-15)20(18,19)14-7-5-6-13(16)12-14/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyNVGUJSIKXAJBCT-UHFFFAOYSA-N
MW360.32 g/mol
LogP4.04
Rot. Bonds4

About 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine

1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine (PubChem CID 63421307) has the molecular formula C15H22BrNO2S and a molecular weight of 360.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
PubChem CID63421307
Molecular FormulaC15H22BrNO2S
Molecular Weight360.32 g/mol
Exact Mass359.06
IUPAC Name1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H22BrNO2S/c1-3-15(4-2)8-10-17(11-9-15)20(18,19)14-7-5-6-13(16)12-14/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyNVGUJSIKXAJBCT-UHFFFAOYSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
CID 106612253
1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
CID 115304834
4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol
CID 23765903
2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
1-(3-bromophenyl)sulfonyl-2,2-dimethylpiperidine
CID 158822852
4-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 63125722
1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine
CID 26947059
1-(3-bromophenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium
CID 9025393
5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63162212
1-(3-bromophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845024
8-(3-bromophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3250843

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine?
The IUPAC name of 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine (CID 63421307) is 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine.
What is the SMILES notation for 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine?
The canonical SMILES for 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine is CCC1(CC)CCN(S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine?
The InChIKey is NVGUJSIKXAJBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2S/c1-3-15(4-2)8-10-17(11-9-15)20(18,19)14-7-5-6-13(16)12-14/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine?
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine has a molecular weight of 360.32 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine is sourced from PubChem (CID 63421307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).