1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine

C15H21BrClNO2S — CID 106612253

IUPAC1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C15H21BrClNO2S/c1-3-15(4-2)7-9-18(10-8-15)21(19,20)12-5-6-14(17)13(16)11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyOLWSHDXQHNWXBZ-UHFFFAOYSA-N
MW394.76 g/mol
LogP4.69
Rot. Bonds4

About 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine

1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine (PubChem CID 106612253) has the molecular formula C15H21BrClNO2S and a molecular weight of 394.76 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
PubChem CID106612253
Molecular FormulaC15H21BrClNO2S
Molecular Weight394.76 g/mol
Exact Mass393.02
IUPAC Name1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C15H21BrClNO2S/c1-3-15(4-2)7-9-18(10-8-15)21(19,20)12-5-6-14(17)13(16)11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyOLWSHDXQHNWXBZ-UHFFFAOYSA-N
XLogP4.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.76
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylazetidin-3-ol
CID 106606344
1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307
5-(4,4-diethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 63162212
1-(3-bromo-4-chlorophenyl)sulfonyl-4-prop-2-ynylpiperazine
CID 106546622
(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107999537
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonylpyrrolidine
CID 106613066
(NE)-N-[1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 106606120
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 115330063
3-bromo-4-chloro-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 106612674
4-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperazin-2-one
CID 106546001
3-bromo-1-(3-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine
CID 106613268

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine (CID 106612253) is 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine is CCC1(CC)CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine?
The InChIKey is OLWSHDXQHNWXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2S/c1-3-15(4-2)7-9-18(10-8-15)21(19,20)12-5-6-14(17)13(16)11-12/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine?
1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine has a molecular weight of 394.76 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine is sourced from PubChem (CID 106612253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).