1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide

C13H12F5N3O2S — CID 71808072

IUPAC1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H12F5N3O2S/c14-10-1-2-11(15)9(7-10)8-24(22,23)19-4-6-21-5-3-12(20-21)13(16,17)18/h1-3,5,7,19H,4,6,8H2
InChIKeyIXJDXTDWLDURET-UHFFFAOYSA-N
MW369.32 g/mol
LogP2.30
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide (PubChem CID 71808072) has the molecular formula C13H12F5N3O2S and a molecular weight of 369.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide
PubChem CID71808072
Molecular FormulaC13H12F5N3O2S
Molecular Weight369.32 g/mol
Exact Mass369.06
IUPAC Name1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H12F5N3O2S/c14-10-1-2-11(15)9(7-10)8-24(22,23)19-4-6-21-5-3-12(20-21)13(16,17)18/h1-3,5,7,19H,4,6,8H2
InChIKeyIXJDXTDWLDURET-UHFFFAOYSA-N
XLogP2.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide (CID 71808072) is 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
The InChIKey is IXJDXTDWLDURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5N3O2S/c14-10-1-2-11(15)9(7-10)8-24(22,23)19-4-6-21-5-3-12(20-21)13(16,17)18/h1-3,5,7,19H,4,6,8H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide has a molecular weight of 369.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 71808072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).