N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C14H14F3N3O3S — CID 30841169

IUPACN-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O3S/c1-2-24(22,23)11-5-3-10(4-6-11)18-13(21)9-20-8-7-12(19-20)14(15,16)17/h3-8H,2,9H2,1H3,(H,18,21)
InChIKeyDISPQRYLVMGXAK-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.33
Rot. Bonds5

About N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 30841169) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID30841169
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC NameN-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H14F3N3O3S/c1-2-24(22,23)11-5-3-10(4-6-11)18-13(21)9-20-8-7-12(19-20)14(15,16)17/h3-8H,2,9H2,1H3,(H,18,21)
InChIKeyDISPQRYLVMGXAK-UHFFFAOYSA-N
XLogP2.33
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzenesulfonyl)phenyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57521566
N-(3-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4879018
N-(4-cyclohexylsulfonylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 168278945
N-{4-[(ethylamino)sulfonyl]phenyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3244508
N-(2-cyclopentylsulfanylphenyl)-N'-(1-pyrazol-1-ylpropan-2-yl)oxamide
CID 47044363
N-[4-(aminosulfonyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 5210829
N-[2-(methylsulfanyl)phenyl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 813452
[[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] N-[4-(trifluoromethylsulfanyl)phenyl]carbamate
CID 2809253
Cyto4H3
CID 5714496
2-(4-amino-1H-pyrazol-1-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
CID 43382452
1-[4-(Difluoromethylsulfonyl)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 53530281
N-ethyl-3-[[1-(3-fluorophenyl)pyrazol-3-yl]methylsulfonyl]propanamide
CID 53582062

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 30841169) is N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCS(=O)(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is DISPQRYLVMGXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-2-24(22,23)11-5-3-10(4-6-11)18-13(21)9-20-8-7-12(19-20)14(15,16)17/h3-8H,2,9H2,1H3,(H,18,21).
What are the key properties of N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 361.35 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 30841169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).