1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine

C12H15F3N2O3S — CID 120874368

IUPAC1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1
InChIInChI=1S/C12H15F3N2O3S/c13-10-6-9(3-4-11(10)20-12(14)15)21(18,19)17-5-1-2-8(16)7-17/h3-4,6,8,12H,1-2,5,7,16H2
InChIKeyUWTNJVHPTCSQHQ-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.54
Rot. Bonds4

About 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine

1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine (PubChem CID 120874368) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine
PubChem CID120874368
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1
InChIInChI=1S/C12H15F3N2O3S/c13-10-6-9(3-4-11(10)20-12(14)15)21(18,19)17-5-1-2-8(16)7-17/h3-4,6,8,12H,1-2,5,7,16H2
InChIKeyUWTNJVHPTCSQHQ-UHFFFAOYSA-N
XLogP1.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 102977579
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
(3R)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine
CID 115301754
(3S)-1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993450
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-1,4-diazepane
CID 120999337
1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine
CID 120999576
(3S,4S)-1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122103777
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
1-[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714814
1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine
CID 43455224

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine?
The IUPAC name of 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine (CID 120874368) is 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine is NC1CCCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)C1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine?
The InChIKey is UWTNJVHPTCSQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-10-6-9(3-4-11(10)20-12(14)15)21(18,19)17-5-1-2-8(16)7-17/h3-4,6,8,12H,1-2,5,7,16H2.
What are the key properties of 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine?
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine has a molecular weight of 324.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-3-amine is sourced from PubChem (CID 120874368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).