tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate

C23H23FN2O4S — CID 68651700

IUPACtert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-23(2,3)30-22(27)25-19-11-13-20(14-12-19)26-31(28,29)21-6-4-5-17(15-21)16-7-9-18(24)10-8-16/h4-15,26H,1-3H3,(H,25,27)
InChIKeyWSMIVSXCDYWGGS-UHFFFAOYSA-N
MW442.51 g/mol
LogP5.64
Rot. Bonds5

About tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate

tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate (PubChem CID 68651700) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate
PubChem CID68651700
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC Nametert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-23(2,3)30-22(27)25-19-11-13-20(14-12-19)26-31(28,29)21-6-4-5-17(15-21)16-7-9-18(24)10-8-16/h4-15,26H,1-3H3,(H,25,27)
InChIKeyWSMIVSXCDYWGGS-UHFFFAOYSA-N
XLogP5.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.51
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate (CID 68651700) is tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NS(=O)(=O)c2cccc(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate?
The InChIKey is WSMIVSXCDYWGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-23(2,3)30-22(27)25-19-11-13-20(14-12-19)26-31(28,29)21-6-4-5-17(15-21)16-7-9-18(24)10-8-16/h4-15,26H,1-3H3,(H,25,27).
What are the key properties of tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate?
tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate has a molecular weight of 442.51 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[3-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]carbamate is sourced from PubChem (CID 68651700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).