1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine

C13H17BrCl2N2O2S — CID 63900099

IUPAC1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C13H17BrCl2N2O2S/c1-17(2)10-4-3-5-18(8-10)21(19,20)13-11(15)6-9(14)7-12(13)16/h6-7,10H,3-5,8H2,1-2H3
InChIKeyXVBIHYREBSBLKY-UHFFFAOYSA-N
MW416.17 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine

1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine (PubChem CID 63900099) has the molecular formula C13H17BrCl2N2O2S and a molecular weight of 416.17 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
PubChem CID63900099
Molecular FormulaC13H17BrCl2N2O2S
Molecular Weight416.17 g/mol
Exact Mass413.96
IUPAC Name1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1
InChIInChI=1S/C13H17BrCl2N2O2S/c1-17(2)10-4-3-5-18(8-10)21(19,20)13-11(15)6-9(14)7-12(13)16/h6-7,10H,3-5,8H2,1-2H3
InChIKeyXVBIHYREBSBLKY-UHFFFAOYSA-N
XLogP3.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.17
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561154
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3-(bromomethyl)pyrrolidine
CID 80675380
2-chloro-4-[3-(dimethylamino)piperidin-1-yl]sulfonylbenzonitrile
CID 115619694
1-(5-amino-4-bromo-2-methylphenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 114625870
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-3,5-dimethylpiperidine
CID 18228816
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 116530450
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872723
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63980191
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
(3R)-1-(4-chloro-2-nitrophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine
CID 95305756

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine (CID 63900099) is 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)C1.
What is the InChIKey of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
The InChIKey is XVBIHYREBSBLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrCl2N2O2S/c1-17(2)10-4-3-5-18(8-10)21(19,20)13-11(15)6-9(14)7-12(13)16/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine?
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-N,N-dimethylpiperidin-3-amine has a molecular weight of 416.17 g/mol, XLogP of 3.47, 3 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-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 63900099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).