1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine

C14H18BrCl2NO2S — CID 63421045

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine
SMILESCCCC1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C14H18BrCl2NO2S/c1-2-3-10-4-6-18(7-5-10)21(19,20)14-12(16)8-11(15)9-13(14)17/h8-10H,2-7H2,1H3
InChIKeyDNZONNNPSPNXQK-UHFFFAOYSA-N
MW415.18 g/mol
LogP4.96
Rot. Bonds4

About 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine (PubChem CID 63421045) has the molecular formula C14H18BrCl2NO2S and a molecular weight of 415.18 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine
PubChem CID63421045
Molecular FormulaC14H18BrCl2NO2S
Molecular Weight415.18 g/mol
Exact Mass412.96
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine
SMILESCCCC1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C14H18BrCl2NO2S/c1-2-3-10-4-6-18(7-5-10)21(19,20)14-12(16)8-11(15)9-13(14)17/h8-10H,2-7H2,1H3
InChIKeyDNZONNNPSPNXQK-UHFFFAOYSA-N
XLogP4.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.18
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(chloromethyl)piperidine
CID 63400747
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63980191
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(bromomethyl)pyrrolidine
CID 80675380
2-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561154
2-bromo-5-chloro-3-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62957606
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18228816
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872723
[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 71103813
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 63900099
[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 60957920
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767032
3-bromo-4-(4-propylpiperidin-1-yl)sulfonylaniline
CID 62200546

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine (CID 63421045) is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine is CCCC1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine?
The InChIKey is DNZONNNPSPNXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrCl2NO2S/c1-2-3-10-4-6-18(7-5-10)21(19,20)14-12(16)8-11(15)9-13(14)17/h8-10H,2-7H2,1H3.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine?
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine has a molecular weight of 415.18 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine is sourced from PubChem (CID 63421045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).