1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide

C11H11F2N3O2S — CID 131962916

IUPAC1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
SMILESCc1[nH]ncc1NS(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C11H11F2N3O2S/c1-7-11(5-14-15-7)16-19(17,18)6-8-9(12)3-2-4-10(8)13/h2-5,16H,6H2,1H3,(H,14,15)
InChIKeyLCJRNVGRFVIDSL-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.94
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide

1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide (PubChem CID 131962916) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
PubChem CID131962916
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
SMILESCc1[nH]ncc1NS(=O)(=O)Cc1c(F)cccc1F
InChIInChI=1S/C11H11F2N3O2S/c1-7-11(5-14-15-7)16-19(17,18)6-8-9(12)3-2-4-10(8)13/h2-5,16H,6H2,1H3,(H,14,15)
InChIKeyLCJRNVGRFVIDSL-UHFFFAOYSA-N
XLogP1.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1H-pyrazol-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 100687501
N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide
CID 126995059
1-(2-chloro-6-fluorophenyl)-N-(2-ethylsulfanylphenyl)methanesulfonamide
CID 99951031
3-fluoro-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzoic acid
CID 80583821
N-(2-fluoro-6-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81313064
2-(2,6-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113253809
N-(2,3-difluorophenyl)ethanesulfonamide
CID 64586893
1-(2-chloro-6-fluorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]methanesulfonamide
CID 99951684
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
5-amino-N-(2,3-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 61076416
1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide
CID 131962997

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide (CID 131962916) is 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide is Cc1[nH]ncc1NS(=O)(=O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide?
The InChIKey is LCJRNVGRFVIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-7-11(5-14-15-7)16-19(17,18)6-8-9(12)3-2-4-10(8)13/h2-5,16H,6H2,1H3,(H,14,15).
What are the key properties of 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide?
1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 131962916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).