2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate

C9H7ClF3NO4S — CID 12947237

IUPAC2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)OCC(F)(F)F
InChIInChI=1S/C9H7ClF3NO4S/c10-6-2-1-3-7(4-6)19(16,17)14-8(15)18-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyBFUREIMMANJWRR-UHFFFAOYSA-N
MW317.67 g/mol
LogP2.32
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate

2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate (PubChem CID 12947237) has the molecular formula C9H7ClF3NO4S and a molecular weight of 317.67 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate
PubChem CID12947237
Molecular FormulaC9H7ClF3NO4S
Molecular Weight317.67 g/mol
Exact Mass316.97
IUPAC Name2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate
SMILESO=C(NS(=O)(=O)c1cccc(Cl)c1)OCC(F)(F)F
InChIInChI=1S/C9H7ClF3NO4S/c10-6-2-1-3-7(4-6)19(16,17)14-8(15)18-5-9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyBFUREIMMANJWRR-UHFFFAOYSA-N
XLogP2.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.67
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate (CID 12947237) is 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate is O=C(NS(=O)(=O)c1cccc(Cl)c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate?
The InChIKey is BFUREIMMANJWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO4S/c10-6-2-1-3-7(4-6)19(16,17)14-8(15)18-5-9(11,12)13/h1-4H,5H2,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate?
2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate has a molecular weight of 317.67 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(3-chlorophenyl)sulfonylcarbamate is sourced from PubChem (CID 12947237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).