propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate

C16H15F2NO5S — CID 142633406

IUPACpropan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate
SMILESCC(C)OC(=O)N(c1ccccc1)S(=O)(=O)Oc1c(F)cccc1F
InChIInChI=1S/C16H15F2NO5S/c1-11(2)23-16(20)19(12-7-4-3-5-8-12)25(21,22)24-15-13(17)9-6-10-14(15)18/h3-11H,1-2H3
InChIKeyUSUIKUCYFRUKSZ-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.64
Rot. Bonds5

About propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate

propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate (PubChem CID 142633406) has the molecular formula C16H15F2NO5S and a molecular weight of 371.36 g/mol. Its IUPAC name is propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate
PubChem CID142633406
Molecular FormulaC16H15F2NO5S
Molecular Weight371.36 g/mol
Exact Mass371.06
IUPAC Namepropan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate
SMILESCC(C)OC(=O)N(c1ccccc1)S(=O)(=O)Oc1c(F)cccc1F
InChIInChI=1S/C16H15F2NO5S/c1-11(2)23-16(20)19(12-7-4-3-5-8-12)25(21,22)24-15-13(17)9-6-10-14(15)18/h3-11H,1-2H3
InChIKeyUSUIKUCYFRUKSZ-UHFFFAOYSA-N
XLogP3.64
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate?
The IUPAC name of propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate (CID 142633406) is propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate.
What is the SMILES notation for propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate?
The canonical SMILES for propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate is CC(C)OC(=O)N(c1ccccc1)S(=O)(=O)Oc1c(F)cccc1F.
What is the InChIKey of propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate?
The InChIKey is USUIKUCYFRUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO5S/c1-11(2)23-16(20)19(12-7-4-3-5-8-12)25(21,22)24-15-13(17)9-6-10-14(15)18/h3-11H,1-2H3.
What are the key properties of propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate?
propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate has a molecular weight of 371.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2,6-difluorophenoxy)sulfonyl-N-phenylcarbamate is sourced from PubChem (CID 142633406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).