1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine

C13H16BrCl2NO3S — CID 63980191

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C13H16BrCl2NO3S/c1-20-8-9-2-4-17(5-3-9)21(18,19)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8H2,1H3
InChIKeyOWWSIBDNJSDHHC-UHFFFAOYSA-N
MW417.15 g/mol
LogP3.80
Rot. Bonds4

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

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine (PubChem CID 63980191) has the molecular formula C13H16BrCl2NO3S and a molecular weight of 417.15 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine
PubChem CID63980191
Molecular FormulaC13H16BrCl2NO3S
Molecular Weight417.15 g/mol
Exact Mass414.94
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1
InChIInChI=1S/C13H16BrCl2NO3S/c1-20-8-9-2-4-17(5-3-9)21(18,19)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8H2,1H3
InChIKeyOWWSIBDNJSDHHC-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.15
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-propylpiperidine
CID 63421045
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(chloromethyl)piperidine
CID 63400747
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(bromomethyl)pyrrolidine
CID 80675380
3,5-dichloro-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106585755
2-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561154
4-bromo-3-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 65206653
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18228816
4-chloro-2-fluoro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 63973442
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872723
[1-(2,6-dichloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 71103813
2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-methylaniline
CID 63971698

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine (CID 63980191) is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine is COCC1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine?
The InChIKey is OWWSIBDNJSDHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrCl2NO3S/c1-20-8-9-2-4-17(5-3-9)21(18,19)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine?
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine has a molecular weight of 417.15 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine is sourced from PubChem (CID 63980191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).