[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol

C12H17BrN2O3S — CID 115328812

IUPAC[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
SMILESNc1cc(S(=O)(=O)N2CCCCC2CO)ccc1Br
InChIInChI=1S/C12H17BrN2O3S/c13-11-5-4-10(7-12(11)14)19(17,18)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8,14H2
InChIKeyIKPWPZFJIVJFNS-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.57
Rot. Bonds3

About [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol

[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol (PubChem CID 115328812) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
PubChem CID115328812
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
SMILESNc1cc(S(=O)(=O)N2CCCCC2CO)ccc1Br
InChIInChI=1S/C12H17BrN2O3S/c13-11-5-4-10(7-12(11)14)19(17,18)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8,14H2
InChIKeyIKPWPZFJIVJFNS-UHFFFAOYSA-N
XLogP1.57
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
CID 115328958
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
[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
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 71911370
2-amino-4-[2-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenol
CID 43104623
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3294316
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol (CID 115328812) is [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol is Nc1cc(S(=O)(=O)N2CCCCC2CO)ccc1Br.
What is the InChIKey of [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is IKPWPZFJIVJFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c13-11-5-4-10(7-12(11)14)19(17,18)15-6-2-1-3-9(15)8-16/h4-5,7,9,16H,1-3,6,8,14H2.
What are the key properties of [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol?
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 349.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 115328812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).