1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide

C17H16F2N4O2S — CID 71807978

IUPAC1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C17H16F2N4O2S/c18-14-4-5-15(19)13(11-14)12-26(24,25)21-8-10-23-9-6-17(22-23)16-3-1-2-7-20-16/h1-7,9,11,21H,8,10,12H2
InChIKeyGDBLZRXHBODKFO-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.34
Rot. Bonds7

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

1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 71807978) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID71807978
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C17H16F2N4O2S/c18-14-4-5-15(19)13(11-14)12-26(24,25)21-8-10-23-9-6-17(22-23)16-3-1-2-7-20-16/h1-7,9,11,21H,8,10,12H2
InChIKeyGDBLZRXHBODKFO-UHFFFAOYSA-N
XLogP2.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide (CID 71807978) is 1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NCCn1ccc(-c2ccccn2)n1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is GDBLZRXHBODKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c18-14-4-5-15(19)13(11-14)12-26(24,25)21-8-10-23-9-6-17(22-23)16-3-1-2-7-20-16/h1-7,9,11,21H,8,10,12H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 378.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 71807978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).