phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate

C13H9F3N2O4S — CID 14207591

IUPACphenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate
SMILESO=C(NS(=O)(=O)c1ncccc1C(F)(F)F)Oc1ccccc1
InChIInChI=1S/C13H9F3N2O4S/c14-13(15,16)10-7-4-8-17-11(10)23(20,21)18-12(19)22-9-5-2-1-3-6-9/h1-8H,(H,18,19)
InChIKeyZZPGWKWAIVHEOF-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.58
Rot. Bonds3

About phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate

phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate (PubChem CID 14207591) has the molecular formula C13H9F3N2O4S and a molecular weight of 346.29 g/mol. Its IUPAC name is phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate.

Molecular Properties

Compound Namephenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate
PubChem CID14207591
Molecular FormulaC13H9F3N2O4S
Molecular Weight346.29 g/mol
Exact Mass346.02
IUPAC Namephenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate
SMILESO=C(NS(=O)(=O)c1ncccc1C(F)(F)F)Oc1ccccc1
InChIInChI=1S/C13H9F3N2O4S/c14-13(15,16)10-7-4-8-17-11(10)23(20,21)18-12(19)22-9-5-2-1-3-6-9/h1-8H,(H,18,19)
InChIKeyZZPGWKWAIVHEOF-UHFFFAOYSA-N
XLogP2.58
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate?
The IUPAC name of phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate (CID 14207591) is phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate.
What is the SMILES notation for phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate?
The canonical SMILES for phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate is O=C(NS(=O)(=O)c1ncccc1C(F)(F)F)Oc1ccccc1.
What is the InChIKey of phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate?
The InChIKey is ZZPGWKWAIVHEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O4S/c14-13(15,16)10-7-4-8-17-11(10)23(20,21)18-12(19)22-9-5-2-1-3-6-9/h1-8H,(H,18,19).
What are the key properties of phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate?
phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate has a molecular weight of 346.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[[3-(trifluoromethyl)-2-pyridinyl]sulfonyl]carbamate is sourced from PubChem (CID 14207591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).