2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

C15H17F3N4O3S — CID 110335714

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N4O3S/c1-9-14(10(2)21-20-9)26(24,25)22(3)8-13(23)19-12-6-4-11(5-7-12)15(16,17)18/h4-7H,8H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyPYXLBYPHBUBGEB-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.30
Rot. Bonds5

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 110335714) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID110335714
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H17F3N4O3S/c1-9-14(10(2)21-20-9)26(24,25)22(3)8-13(23)19-12-6-4-11(5-7-12)15(16,17)18/h4-7H,8H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyPYXLBYPHBUBGEB-UHFFFAOYSA-N
XLogP2.30
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 110335689
N-(4-acetamidophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335718
N-(3,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335735
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 110335743
methyl 3-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 110335720
N-(2,5-dichlorophenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335734
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 15996234
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110335622
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 24677998
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27687532
N-cyclohexyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]acetamide
CID 110335603

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 110335714) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PYXLBYPHBUBGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-9-14(10(2)21-20-9)26(24,25)22(3)8-13(23)19-12-6-4-11(5-7-12)15(16,17)18/h4-7H,8H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 390.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 110335714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).