2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

C14H14F4N4O3S — CID 4773049

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1
InChIInChI=1S/C14H14F4N4O3S/c15-13(16)10-5-11(14(17)18)22(21-10)7-12(23)20-6-8-1-3-9(4-2-8)26(19,24)25/h1-5,13-14H,6-7H2,(H,20,23)(H2,19,24,25)
InChIKeyRKLVWIWAQRTFCL-UHFFFAOYSA-N
MW394.35 g/mol
LogP1.72
Rot. Bonds7

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 4773049) has the molecular formula C14H14F4N4O3S and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID4773049
Molecular FormulaC14H14F4N4O3S
Molecular Weight394.35 g/mol
Exact Mass394.07
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1
InChIInChI=1S/C14H14F4N4O3S/c15-13(16)10-5-11(14(17)18)22(21-10)7-12(23)20-6-8-1-3-9(4-2-8)26(19,24)25/h1-5,13-14H,6-7H2,(H,20,23)(H2,19,24,25)
InChIKeyRKLVWIWAQRTFCL-UHFFFAOYSA-N
XLogP1.72
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 6499783
N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 653962
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-methylbenzenesulfonamide
CID 6499784
2-(5-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (12)
CID 86766211
2-(5-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (16)
CID 86766215
N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858730
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 2558400
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 4787528
N-{4-[(ethylamino)sulfonyl]phenyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3244508
N-(2,4-difluorophenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 16009273
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 25163266

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 4773049) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is RKLVWIWAQRTFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N4O3S/c15-13(16)10-5-11(14(17)18)22(21-10)7-12(23)20-6-8-1-3-9(4-2-8)26(19,24)25/h1-5,13-14H,6-7H2,(H,20,23)(H2,19,24,25).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 394.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 4773049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).