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

C10H12F3N3O4S — CID 3072218

IUPACethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(C(F)(F)F)cnc1NS(C)(=O)=O
InChIInChI=1S/C10H12F3N3O4S/c1-3-20-9(17)15-7-4-6(10(11,12)13)5-14-8(7)16-21(2,18)19/h4-5H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIDPFJZHNEJYFBD-UHFFFAOYSA-N
MW327.28 g/mol
LogP2.04
Rot. Bonds4

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

ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate (PubChem CID 3072218) has the molecular formula C10H12F3N3O4S and a molecular weight of 327.28 g/mol. Its IUPAC name is ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate
PubChem CID3072218
Molecular FormulaC10H12F3N3O4S
Molecular Weight327.28 g/mol
Exact Mass327.05
IUPAC Nameethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1cc(C(F)(F)F)cnc1NS(C)(=O)=O
InChIInChI=1S/C10H12F3N3O4S/c1-3-20-9(17)15-7-4-6(10(11,12)13)5-14-8(7)16-21(2,18)19/h4-5H,3H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIDPFJZHNEJYFBD-UHFFFAOYSA-N
XLogP2.04
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate (CID 3072218) is ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate is CCOC(=O)Nc1cc(C(F)(F)F)cnc1NS(C)(=O)=O.
What is the InChIKey of ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate?
The InChIKey is IDPFJZHNEJYFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4S/c1-3-20-9(17)15-7-4-6(10(11,12)13)5-14-8(7)16-21(2,18)19/h4-5H,3H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate?
ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate has a molecular weight of 327.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(methanesulfonamido)-5-(trifluoromethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 3072218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).