5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride

C11H15ClF2N2O4S2 — CID 135564480

IUPAC5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)CC1
InChIInChI=1S/C11H14F2N2O4S2.ClH/c12-10-2-1-9(7-11(10)20(13,16)17)21(18,19)15-5-3-8(14)4-6-15;/h1-2,7-8H,3-6,14H2;1H
InChIKeyHKSWFGPFDWAYQO-UHFFFAOYSA-N
MW376.83 g/mol
LogP1.02
Rot. Bonds3

About 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride

5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride (PubChem CID 135564480) has the molecular formula C11H15ClF2N2O4S2 and a molecular weight of 376.83 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride
PubChem CID135564480
Molecular FormulaC11H15ClF2N2O4S2
Molecular Weight376.83 g/mol
Exact Mass376.01
IUPAC Name5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)CC1
InChIInChI=1S/C11H14F2N2O4S2.ClH/c12-10-2-1-9(7-11(10)20(13,16)17)21(18,19)15-5-3-8(14)4-6-15;/h1-2,7-8H,3-6,14H2;1H
InChIKeyHKSWFGPFDWAYQO-UHFFFAOYSA-N
XLogP1.02
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119959379
5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzonitrile
CID 63288398
1-(3-fluoro-4-nitrophenyl)sulfonylpiperidin-4-amine
CID 82855183
1-(3-chlorophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959058
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
1-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119959016
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
(3R)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidin-3-amine
CID 115301727
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-amine
CID 28804108
3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
CID 119959097
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride?
The IUPAC name of 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride (CID 135564480) is 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)CC1.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride?
The InChIKey is HKSWFGPFDWAYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S2.ClH/c12-10-2-1-9(7-11(10)20(13,16)17)21(18,19)15-5-3-8(14)4-6-15;/h1-2,7-8H,3-6,14H2;1H.
What are the key properties of 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride?
5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride has a molecular weight of 376.83 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)sulfonyl-2-fluorobenzenesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 135564480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).