ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate

C15H20F2N2O6S2 — CID 34039321

IUPACethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C15H20F2N2O6S2/c1-2-25-15(20)19-9-7-11(8-10-19)18-27(23,24)13-5-3-12(4-6-13)26(21,22)14(16)17/h3-6,11,14,18H,2,7-10H2,1H3
InChIKeyKYNMGOPJKMISFB-UHFFFAOYSA-N
MW426.46 g/mol
LogP1.58
Rot. Bonds6

About ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate

ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 34039321) has the molecular formula C15H20F2N2O6S2 and a molecular weight of 426.46 g/mol. Its IUPAC name is ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate
PubChem CID34039321
Molecular FormulaC15H20F2N2O6S2
Molecular Weight426.46 g/mol
Exact Mass426.07
IUPAC Nameethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C15H20F2N2O6S2/c1-2-25-15(20)19-9-7-11(8-10-19)18-27(23,24)13-5-3-12(4-6-13)26(21,22)14(16)17/h3-6,11,14,18H,2,7-10H2,1H3
InChIKeyKYNMGOPJKMISFB-UHFFFAOYSA-N
XLogP1.58
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-[(phenylsulfonyl)amino]piperidine-1-carboxylate
CID 2815497
ethyl (3R)-3-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-1-carboxylate
CID 162365324
ethyl (3S)-3-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-1-carboxylate
CID 162365345
Ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
N-[2-(1-{[4-(methylthio)phenyl]sulfonyl}-2-piperidinyl)ethyl]acetamide
CID 70721211
ethyl 4-({(3S,4R)-4-[(4-fluorophenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thienyl}amino)piperidine-1-carboxylate
CID 20996488
N,N-dimethyl-4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]sulfonylbenzenesulfonamide
CID 18538427
tert-Butyl 4-(4-fluorophenylsulfonamido)piperidine-1-carboxylate
CID 52331557
tert-Butyl 4-(2-fluorophenylsulfonamido)piperidine-1-carboxylate
CID 52331558
4-{N-(2,4-difluorobenzenesulphonyl)}amino-1-(tert-butyloxycarbonyl)-piperidine
CID 69031556
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(4-methylsulfonylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 89480705
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]piperidine-1-carboxylate
CID 89480835

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate (CID 34039321) is ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The InChIKey is KYNMGOPJKMISFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O6S2/c1-2-25-15(20)19-9-7-11(8-10-19)18-27(23,24)13-5-3-12(4-6-13)26(21,22)14(16)17/h3-6,11,14,18H,2,7-10H2,1H3.
What are the key properties of ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate has a molecular weight of 426.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(difluoromethylsulfonyl)phenyl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 34039321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).