propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate

C11H14F3N3O4S — CID 3072219

IUPACpropyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCCCOC(=O)Nc1cc(C(F)(F)F)cnc1NS(C)(=O)=O
InChIInChI=1S/C11H14F3N3O4S/c1-3-4-21-10(18)16-8-5-7(11(12,13)14)6-15-9(8)17-22(2,19)20/h5-6H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRDOWVDIMIUAOFC-UHFFFAOYSA-N
MW341.31 g/mol
LogP2.43
Rot. Bonds5

About propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate

propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 3072219) has the molecular formula C11H14F3N3O4S and a molecular weight of 341.31 g/mol. Its IUPAC name is propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID3072219
Molecular FormulaC11H14F3N3O4S
Molecular Weight341.31 g/mol
Exact Mass341.07
IUPAC Namepropyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCCCOC(=O)Nc1cc(C(F)(F)F)cnc1NS(C)(=O)=O
InChIInChI=1S/C11H14F3N3O4S/c1-3-4-21-10(18)16-8-5-7(11(12,13)14)6-15-9(8)17-22(2,19)20/h5-6H,3-4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyRDOWVDIMIUAOFC-UHFFFAOYSA-N
XLogP2.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate (CID 3072219) is propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate is CCCOC(=O)Nc1cc(C(F)(F)F)cnc1NS(C)(=O)=O.
What is the InChIKey of propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is RDOWVDIMIUAOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O4S/c1-3-4-21-10(18)16-8-5-7(11(12,13)14)6-15-9(8)17-22(2,19)20/h5-6H,3-4H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate?
propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 341.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 3072219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).