methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate

C12H12FN3O4S — CID 61018382

IUPACmethyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(=O)(=O)c2ccccc2F)cn1
InChIInChI=1S/C12H12FN3O4S/c1-20-12(17)8-16-7-9(6-14-16)15-21(18,19)11-5-3-2-4-10(11)13/h2-7,15H,8H2,1H3
InChIKeyNPUVWMDTUJATBR-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.00
Rot. Bonds5

About methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate

methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate (PubChem CID 61018382) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate
PubChem CID61018382
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Namemethyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NS(=O)(=O)c2ccccc2F)cn1
InChIInChI=1S/C12H12FN3O4S/c1-20-12(17)8-16-7-9(6-14-16)15-21(18,19)11-5-3-2-4-10(11)13/h2-7,15H,8H2,1H3
InChIKeyNPUVWMDTUJATBR-UHFFFAOYSA-N
XLogP1.00
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810303
3,4-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810311
2-fluoro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 45905444
N-(1-tert-butylpyrazol-4-yl)-2,4,5-trifluorobenzenesulfonamide
CID 53602876
Methyl 2-[4-[(2-fluoro-5-methylphenyl)sulfamoyl]pyrazol-1-yl]acetate
CID 72120543
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428220
2,5-difluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428252
N-(1-ethyl-3-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 22209219
n-(1-Ethyl-1h-pyrazol-4-yl)-2-fluorobenzenesulfonamide
CID 31912908
N-(1-ethylpyrazol-4-yl)-3,4-difluorobenzenesulfonamide
CID 31912923
N-(1-ethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 31912941
N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 31912944

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate (CID 61018382) is methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate is COC(=O)Cn1cc(NS(=O)(=O)c2ccccc2F)cn1.
What is the InChIKey of methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate?
The InChIKey is NPUVWMDTUJATBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c1-20-12(17)8-16-7-9(6-14-16)15-21(18,19)11-5-3-2-4-10(11)13/h2-7,15H,8H2,1H3.
What are the key properties of methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate?
methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate has a molecular weight of 313.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-fluorophenyl)sulfonylamino]pyrazol-1-yl]acetate is sourced from PubChem (CID 61018382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).