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

C17H16F2N4O2S — CID 71797661

IUPAC1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2cc(F)ccc2F)cc1-c1ccccn1
InChIInChI=1S/C17H16F2N4O2S/c1-23-17(16-4-2-3-7-20-16)9-14(22-23)10-21-26(24,25)11-12-8-13(18)5-6-15(12)19/h2-9,21H,10-11H2,1H3
InChIKeyNHEKFALNQUUOAU-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.38
Rot. Bonds6

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

1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide (PubChem CID 71797661) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide
PubChem CID71797661
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide
SMILESCn1nc(CNS(=O)(=O)Cc2cc(F)ccc2F)cc1-c1ccccn1
InChIInChI=1S/C17H16F2N4O2S/c1-23-17(16-4-2-3-7-20-16)9-14(22-23)10-21-26(24,25)11-12-8-13(18)5-6-15(12)19/h2-9,21H,10-11H2,1H3
InChIKeyNHEKFALNQUUOAU-UHFFFAOYSA-N
XLogP2.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide (CID 71797661) is 1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide is Cn1nc(CNS(=O)(=O)Cc2cc(F)ccc2F)cc1-c1ccccn1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
The InChIKey is NHEKFALNQUUOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-23-17(16-4-2-3-7-20-16)9-14(22-23)10-21-26(24,25)11-12-8-13(18)5-6-15(12)19/h2-9,21H,10-11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide has a molecular weight of 378.40 g/mol, XLogP of 2.38, 6 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-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 71797661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).