tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate

C15H20FNO4S — CID 134203638

IUPACtert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO4S/c1-15(2,3)21-14(18)17-12-8-9-13(12)22(19,20)11-6-4-10(16)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,17,18)
InChIKeySMTKBCYJFFUNTK-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.66
Rot. Bonds3

About tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate

tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate (PubChem CID 134203638) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate
PubChem CID134203638
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Nametert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO4S/c1-15(2,3)21-14(18)17-12-8-9-13(12)22(19,20)11-6-4-10(16)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,17,18)
InChIKeySMTKBCYJFFUNTK-UHFFFAOYSA-N
XLogP2.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate (CID 134203638) is tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CCC1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate?
The InChIKey is SMTKBCYJFFUNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-15(2,3)21-14(18)17-12-8-9-13(12)22(19,20)11-6-4-10(16)5-7-11/h4-7,12-13H,8-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate?
tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate has a molecular weight of 329.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-fluorophenyl)sulfonylcyclobutyl]carbamate is sourced from PubChem (CID 134203638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).