1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine

C12H16BrNO3S — CID 738615

IUPAC1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1Br
InChIInChI=1S/C12H16BrNO3S/c1-17-12-6-5-10(9-11(12)13)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDUKJJOCLCGFYPB-UHFFFAOYSA-N
MW334.24 g/mol
LogP2.63
Rot. Bonds3

About 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine

1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine (PubChem CID 738615) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine
PubChem CID738615
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1Br
InChIInChI=1S/C12H16BrNO3S/c1-17-12-6-5-10(9-11(12)13)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDUKJJOCLCGFYPB-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3-Bromo-4-methoxyphenyl)sulfonyl)pyrrolidine
CID 765795
1-(4-Methoxy-benzenesulfonyl)-2-methyl-piperidine
CID 2843045
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
[4-(3-Bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 9116113
1-((p-Methoxyphenyl)sulfonyl)piperidine
CID 247209
5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
4-bromo-3-methoxy-N,N-dimethylbenzenesulfonamide
CID 935668
1-(5-Bromo-2-methoxyphenylsulfonyl)pyrrolidine
CID 700232
1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-ethylpiperazine
CID 1295697
3-bromo-N-[2-(diethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 2442102
3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 880441
1-(4-Butoxyphenyl)sulfonylpiperidine
CID 2054877

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine (CID 738615) is 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCCCC2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is DUKJJOCLCGFYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c1-17-12-6-5-10(9-11(12)13)18(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine?
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 334.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 738615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).