[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol

C12H17BrN2O3S — CID 65207002

IUPAC[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol
SMILESNc1ccc(Br)c(S(=O)(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C12H17BrN2O3S/c13-11-4-3-10(14)6-12(11)19(17,18)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8,14H2
InChIKeyKIQXNCCUNNMASM-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.42
Rot. Bonds3

About [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol

[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 65207002) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID65207002
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol
SMILESNc1ccc(Br)c(S(=O)(=O)N2CCCC(CO)C2)c1
InChIInChI=1S/C12H17BrN2O3S/c13-11-4-3-10(14)6-12(11)19(17,18)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8,14H2
InChIKeyKIQXNCCUNNMASM-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(5-amino-2-bromophenyl)sulfonylazetidin-3-yl]methanol
CID 107213096
[1-(5-amino-2-ethoxyphenyl)sulfonylpiperidin-3-yl]methanol
CID 43663013
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128
[(2R)-1-(5-amino-2-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212229
[1-(4-amino-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623880
[1-(2-amino-4,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43590112
[1-[4-(aminomethyl)-2-methylphenyl]sulfonylpiperidin-3-yl]methanol
CID 106996739
4-bromo-3-[4-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 65206653
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-4-bromoaniline
CID 65207194
4-bromo-3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79166020
[1-(2-bromophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 119969035
[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 43589685

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol (CID 65207002) is [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol is Nc1ccc(Br)c(S(=O)(=O)N2CCCC(CO)C2)c1.
What is the InChIKey of [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is KIQXNCCUNNMASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c13-11-4-3-10(14)6-12(11)19(17,18)15-5-1-2-9(7-15)8-16/h3-4,6,9,16H,1-2,5,7-8,14H2.
What are the key properties of [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol?
[1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 349.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-2-bromophenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 65207002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).