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

C12H16BrClN2O3S — CID 62955833

IUPAC[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCCCC2CO)c1Br
InChIInChI=1S/C12H16BrClN2O3S/c13-12-10(15)5-8(14)6-11(12)20(18,19)16-4-2-1-3-9(16)7-17/h5-6,9,17H,1-4,7,15H2
InChIKeyGPIKVYQKTUPRNV-UHFFFAOYSA-N
MW383.70 g/mol
LogP2.22
Rot. Bonds3

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

[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol (PubChem CID 62955833) has the molecular formula C12H16BrClN2O3S and a molecular weight of 383.70 g/mol. Its IUPAC name is [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
PubChem CID62955833
Molecular FormulaC12H16BrClN2O3S
Molecular Weight383.70 g/mol
Exact Mass381.98
IUPAC Name[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
SMILESNc1cc(Cl)cc(S(=O)(=O)N2CCCCC2CO)c1Br
InChIInChI=1S/C12H16BrClN2O3S/c13-12-10(15)5-8(14)6-11(12)20(18,19)16-4-2-1-3-9(16)7-17/h5-6,9,17H,1-4,7,15H2
InChIKeyGPIKVYQKTUPRNV-UHFFFAOYSA-N
XLogP2.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 52.22
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

2-bromo-5-chloro-3-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 62955663
2-bromo-5-chloro-3-(2-methylpiperidin-1-yl)sulfonylaniline
CID 55152333
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
CID 102777084
2-bromo-5-chloro-3-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 62955662
5-chloro-3-(2-ethylazepan-1-yl)sulfonyl-2-methylaniline
CID 114380157
[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 61112099
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylazetidin-3-yl]methanol
CID 107213103
[(2R)-1-(2-amino-4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212246
[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
CID 62152381
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260963
1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55133971

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol (CID 62955833) is [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol is Nc1cc(Cl)cc(S(=O)(=O)N2CCCCC2CO)c1Br.
What is the InChIKey of [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is GPIKVYQKTUPRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O3S/c13-12-10(15)5-8(14)6-11(12)20(18,19)16-4-2-1-3-9(16)7-17/h5-6,9,17H,1-4,7,15H2.
What are the key properties of [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol?
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 383.70 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 62955833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).