[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol

C12H16BrNO3S — CID 43574420

IUPAC[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCCC1CO
InChIInChI=1S/C12H16BrNO3S/c13-10-4-6-12(7-5-10)18(16,17)14-8-2-1-3-11(14)9-15/h4-7,11,15H,1-3,8-9H2
InChIKeyNNPBHDRLZPAUCH-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.98
Rot. Bonds3

About [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol

[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol (PubChem CID 43574420) has the molecular formula C12H16BrNO3S and a molecular weight of 334.24 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
PubChem CID43574420
Molecular FormulaC12H16BrNO3S
Molecular Weight334.24 g/mol
Exact Mass333.00
IUPAC Name[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCCC1CO
InChIInChI=1S/C12H16BrNO3S/c13-10-4-6-12(7-5-10)18(16,17)14-8-2-1-3-11(14)9-15/h4-7,11,15H,1-3,8-9H2
InChIKeyNNPBHDRLZPAUCH-UHFFFAOYSA-N
XLogP1.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
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[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
[(2S)-1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
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1-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546215
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol (CID 43574420) is [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol is O=S(=O)(c1ccc(Br)cc1)N1CCCCC1CO.
What is the InChIKey of [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is NNPBHDRLZPAUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3S/c13-10-4-6-12(7-5-10)18(16,17)14-8-2-1-3-11(14)9-15/h4-7,11,15H,1-3,8-9H2.
What are the key properties of [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol?
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 334.24 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 43574420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).