2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide

C14H15F3N4O3S — CID 71806901

IUPAC2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H15F3N4O3S/c1-21-8-12(7-19-21)25(23,24)20-11-4-2-10(3-5-11)6-13(22)18-9-14(15,16)17/h2-5,7-8,20H,6,9H2,1H3,(H,18,22)
InChIKeyKBZDEABNCILZKV-UHFFFAOYSA-N
MW376.36 g/mol
LogP1.44
Rot. Bonds6

About 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71806901) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71806901
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC Name2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cn1
InChIInChI=1S/C14H15F3N4O3S/c1-21-8-12(7-19-21)25(23,24)20-11-4-2-10(3-5-11)6-13(22)18-9-14(15,16)17/h2-5,7-8,20H,6,9H2,1H3,(H,18,22)
InChIKeyKBZDEABNCILZKV-UHFFFAOYSA-N
XLogP1.44
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide
CID 22204152
2-(4-acetamidophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 31847350
4-(methylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393122
N-(1-pyrazol-1-ylpropan-2-yl)-3-(4-sulfamoylphenyl)propanamide
CID 45818444
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
CID 47812992
3-(3-fluorophenyl)-2-methyl-N-(1-methylpyrazol-4-yl)sulfonylpropanamide
CID 53581736
N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]-4-[(propylamino)sulfonyl]benzamide
CID 70783230
1-methyl-N-(4-(2-morpholino-2-oxoethyl)phenyl)-1H-pyrazole-4-sulfonamide
CID 71806633
4-(N,N-dimethylsulfamoyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)benzamide
CID 71808045

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide (CID 71806901) is 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide is Cn1cc(S(=O)(=O)Nc2ccc(CC(=O)NCC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KBZDEABNCILZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c1-21-8-12(7-19-21)25(23,24)20-11-4-2-10(3-5-11)6-13(22)18-9-14(15,16)17/h2-5,7-8,20H,6,9H2,1H3,(H,18,22).
What are the key properties of 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 376.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71806901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).