1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine

C17H25BrN2O2S — CID 46287305

IUPAC1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C17H25BrN2O2S/c18-16-4-6-17(7-5-16)23(21,22)20-12-8-15(9-13-20)14-19-10-2-1-3-11-19/h4-7,15H,1-3,8-14H2
InChIKeyXGKIABUCBCWMNY-UHFFFAOYSA-N
MW401.37 g/mol
LogP3.34
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine

1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine (PubChem CID 46287305) has the molecular formula C17H25BrN2O2S and a molecular weight of 401.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
PubChem CID46287305
Molecular FormulaC17H25BrN2O2S
Molecular Weight401.37 g/mol
Exact Mass400.08
IUPAC Name1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C17H25BrN2O2S/c18-16-4-6-17(7-5-16)23(21,22)20-12-8-15(9-13-20)14-19-10-2-1-3-11-19/h4-7,15H,1-3,8-14H2
InChIKeyXGKIABUCBCWMNY-UHFFFAOYSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-((4-Bromo-2-ethylphenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308402
1-[1-(4-Bromophenyl)sulfonylpiperidin-4-yl]-4-prop-2-ynylpiperidine
CID 118314258
1-((4-Bromophenyl)sulfonyl)piperidine
CID 95051
3,4-dibromo-N-methyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
CID 10552788
(R)-1-(2-(1-(3-bromo-benzenesulfonyl)-pyrrolidin-2-yl)-ethyl)-4-methyl piperidine
CID 10573876
1-[1-(3-Bromophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308357
4-Methyl-1'-(phenylsulfonyl)-1,4'-bipiperidine
CID 118308417
1'-((4-Bromophenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308433
1-[1-(2-Bromophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314262
1-[1-(4-Bromo-3,5-difluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659832
9-(Benzenesulfonyl)-2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane
CID 3232661
3-(Benzenesulfonyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 3233722

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine (CID 46287305) is 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine is O=S(=O)(c1ccc(Br)cc1)N1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
The InChIKey is XGKIABUCBCWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2S/c18-16-4-6-17(7-5-16)23(21,22)20-12-8-15(9-13-20)14-19-10-2-1-3-11-19/h4-7,15H,1-3,8-14H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine?
1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine has a molecular weight of 401.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine is sourced from PubChem (CID 46287305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).