1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol

C12H17FN2O3S — CID 79897067

IUPAC1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1c(F)cc(N)cc1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C12H17FN2O3S/c1-8-11(13)6-9(14)7-12(8)19(17,18)15-4-2-10(16)3-5-15/h6-7,10,16H,2-5,14H2,1H3
InChIKeyINHJFBRYICCJJB-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.86
Rot. Bonds2

About 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol

1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol (PubChem CID 79897067) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
PubChem CID79897067
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
SMILESCc1c(F)cc(N)cc1S(=O)(=O)N1CCC(O)CC1
InChIInChI=1S/C12H17FN2O3S/c1-8-11(13)6-9(14)7-12(8)19(17,18)15-4-2-10(16)3-5-15/h6-7,10,16H,2-5,14H2,1H3
InChIKeyINHJFBRYICCJJB-UHFFFAOYSA-N
XLogP0.86
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.86
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-3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 79896400
3-(4-ethylpiperidin-1-yl)sulfonyl-5-fluoro-4-methylaniline
CID 79896386
3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylaniline
CID 103530274
1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-3-ol
CID 65020834
[1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidin-4-yl]methanol
CID 43133136
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-(5-amino-2,3-dimethylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43585667
1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43394316
1-(4,5-difluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 91604099
3,4-difluoro-5-(3-methylpyrrolidin-1-yl)sulfonylaniline
CID 65020777
1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-ol
CID 23853542
4-(5-amino-3-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperazin-2-one
CID 79901572

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol (CID 79897067) is 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol is Cc1c(F)cc(N)cc1S(=O)(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol?
The InChIKey is INHJFBRYICCJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8-11(13)6-9(14)7-12(8)19(17,18)15-4-2-10(16)3-5-15/h6-7,10,16H,2-5,14H2,1H3.
What are the key properties of 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol?
1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol has a molecular weight of 288.34 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-fluoro-2-methylphenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 79897067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).