tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate

C16H22F2N2O4S — CID 69031556

IUPACtert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O4S/c1-16(2,3)24-15(21)20-8-6-12(7-9-20)19-25(22,23)14-5-4-11(17)10-13(14)18/h4-5,10,12,19H,6-9H2,1-3H3
InChIKeyJLDHUMOFLKIHLT-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.64
Rot. Bonds3

About tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate

tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 69031556) has the molecular formula C16H22F2N2O4S and a molecular weight of 376.43 g/mol. Its IUPAC name is tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID69031556
Molecular FormulaC16H22F2N2O4S
Molecular Weight376.43 g/mol
Exact Mass376.13
IUPAC Nametert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H22F2N2O4S/c1-16(2,3)24-15(21)20-8-6-12(7-9-20)19-25(22,23)14-5-4-11(17)10-13(14)18/h4-5,10,12,19H,6-9H2,1-3H3
InChIKeyJLDHUMOFLKIHLT-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate (CID 69031556) is tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is JLDHUMOFLKIHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O4S/c1-16(2,3)24-15(21)20-8-6-12(7-9-20)19-25(22,23)14-5-4-11(17)10-13(14)18/h4-5,10,12,19H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate?
tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 376.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 69031556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).