[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol

C12H16ClFN2O3S — CID 61112099

IUPAC[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol
SMILESNc1cc(S(=O)(=O)N2CCCCC2CO)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O3S/c13-9-5-10(14)11(15)6-12(9)20(18,19)16-4-2-1-3-8(16)7-17/h5-6,8,17H,1-4,7,15H2
InChIKeySSPRMIMOEFXJNQ-UHFFFAOYSA-N
MW322.79 g/mol
LogP1.60
Rot. Bonds3

About [1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol

[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol (PubChem CID 61112099) has the molecular formula C12H16ClFN2O3S and a molecular weight of 322.79 g/mol. Its IUPAC name is [1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol
PubChem CID61112099
Molecular FormulaC12H16ClFN2O3S
Molecular Weight322.79 g/mol
Exact Mass322.06
IUPAC Name[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol
SMILESNc1cc(S(=O)(=O)N2CCCCC2CO)c(Cl)cc1F
InChIInChI=1S/C12H16ClFN2O3S/c13-9-5-10(14)11(15)6-12(9)20(18,19)16-4-2-1-3-8(16)7-17/h5-6,8,17H,1-4,7,15H2
InChIKeySSPRMIMOEFXJNQ-UHFFFAOYSA-N
XLogP1.60
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 51.60
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

4-chloro-2-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 61113392
4-chloro-2-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 61112827
[1-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperidin-2-yl]methanol
CID 62955833
4-chloro-3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide
CID 80695525
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781
[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 65020971
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
1-[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 106835212
[(2R)-1-(3-amino-2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212258
[1-(3-amino-5-fluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 63321960
[1-(3,5-difluorophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574533
[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
CID 62152381

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol?
The IUPAC name of [1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol (CID 61112099) is [1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol.
What is the SMILES notation for [1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol?
The canonical SMILES for [1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol is Nc1cc(S(=O)(=O)N2CCCCC2CO)c(Cl)cc1F.
What is the InChIKey of [1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol?
The InChIKey is SSPRMIMOEFXJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O3S/c13-9-5-10(14)11(15)6-12(9)20(18,19)16-4-2-1-3-8(16)7-17/h5-6,8,17H,1-4,7,15H2.
What are the key properties of [1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol?
[1-(5-amino-2-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol has a molecular weight of 322.79 g/mol, XLogP of 1.60, 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-chloro-4-fluorophenyl)sulfonylpiperidin-2-yl]methanol is sourced from PubChem (CID 61112099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).