1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol

C12H16F2N2O3S — CID 107343719

IUPAC1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(F)c(N)c2F)CC1
InChIInChI=1S/C12H16F2N2O3S/c1-12(17)4-6-16(7-5-12)20(18,19)9-3-2-8(13)11(15)10(9)14/h2-3,17H,4-7,15H2,1H3
InChIKeyOYUHUKPDSPWGJD-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.08
Rot. Bonds2

About 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol

1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 107343719) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID107343719
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc(F)c(N)c2F)CC1
InChIInChI=1S/C12H16F2N2O3S/c1-12(17)4-6-16(7-5-12)20(18,19)9-3-2-8(13)11(15)10(9)14/h2-3,17H,4-7,15H2,1H3
InChIKeyOYUHUKPDSPWGJD-UHFFFAOYSA-N
XLogP1.08
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.08
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-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylazepan-4-ol
CID 107403521
1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 103077595
1-(2-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103524
N,4-dimethyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 115304763
2,6-difluoro-3-(4-prop-2-ynylpiperazin-1-yl)sulfonylaniline
CID 107343317
1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096099
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol
CID 81096526
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-2,6-difluoroaniline
CID 107343973
3-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-2,6-difluoroaniline
CID 107343588
4-(3-amino-2,4-difluorophenyl)sulfonyl-1-methyl-1,4-diazepan-2-one
CID 107343955
2,6-difluoro-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107342987

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol (CID 107343719) is 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol is CC1(O)CCN(S(=O)(=O)c2ccc(F)c(N)c2F)CC1.
What is the InChIKey of 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is OYUHUKPDSPWGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c1-12(17)4-6-16(7-5-12)20(18,19)9-3-2-8(13)11(15)10(9)14/h2-3,17H,4-7,15H2,1H3.
What are the key properties of 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol?
1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 306.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,4-difluorophenyl)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 107343719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).