1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine

C13H18BrNO3S — CID 7574290

IUPAC1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine
SMILESCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Br
InChIInChI=1S/C13H18BrNO3S/c1-10-5-7-15(8-6-10)19(16,17)11-3-4-12(14)13(9-11)18-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRYFSLGHDXHPBDW-UHFFFAOYSA-N
MW348.26 g/mol
LogP2.88
Rot. Bonds3

About 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine

1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine (PubChem CID 7574290) has the molecular formula C13H18BrNO3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine
PubChem CID7574290
Molecular FormulaC13H18BrNO3S
Molecular Weight348.26 g/mol
Exact Mass347.02
IUPAC Name1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine
SMILESCOc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Br
InChIInChI=1S/C13H18BrNO3S/c1-10-5-7-15(8-6-10)19(16,17)11-3-4-12(14)13(9-11)18-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyRYFSLGHDXHPBDW-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-4-(4-bromo-3-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7366801
(2S)-1-(4-bromo-3-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 2239887
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-ol
CID 43502818
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
1-(3-bromo-4-methoxyphenyl)sulfonyl-4-ethylpiperidine
CID 61060166
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
2-(4-bromo-3-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 112770544
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine (CID 7574290) is 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine is COc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine?
The InChIKey is RYFSLGHDXHPBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO3S/c1-10-5-7-15(8-6-10)19(16,17)11-3-4-12(14)13(9-11)18-2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine?
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine has a molecular weight of 348.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-methylpiperidine is sourced from PubChem (CID 7574290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).