N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

C18H16F3N5O3S — CID 55519807

IUPACN-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C18H16F3N5O3S/c19-18(20,21)14-3-1-4-15(9-14)30(28,29)25-12-17(27)23-11-13-5-6-16(22-10-13)26-8-2-7-24-26/h1-10,25H,11-12H2,(H,23,27)
InChIKeyVSEDWCQDDDPFHO-UHFFFAOYSA-N
MW439.42 g/mol
LogP1.88
Rot. Bonds7

About N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide

N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (PubChem CID 55519807) has the molecular formula C18H16F3N5O3S and a molecular weight of 439.42 g/mol. Its IUPAC name is N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
PubChem CID55519807
Molecular FormulaC18H16F3N5O3S
Molecular Weight439.42 g/mol
Exact Mass439.09
IUPAC NameN-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
SMILESO=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C18H16F3N5O3S/c19-18(20,21)14-3-1-4-15(9-14)30(28,29)25-12-17(27)23-11-13-5-6-16(22-10-13)26-8-2-7-24-26/h1-10,25H,11-12H2,(H,23,27)
InChIKeyVSEDWCQDDDPFHO-UHFFFAOYSA-N
XLogP1.88
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545971
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55414677
N-[(3-ethoxyphenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548712
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548582
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548477
N-(furan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 38254434
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56545917
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505
N-(1H-benzimidazol-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 112791038
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
N-(2-ethylsulfonylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56550783

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide (CID 55519807) is N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is VSEDWCQDDDPFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3S/c19-18(20,21)14-3-1-4-15(9-14)30(28,29)25-12-17(27)23-11-13-5-6-16(22-10-13)26-8-2-7-24-26/h1-10,25H,11-12H2,(H,23,27).
What are the key properties of N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide?
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 439.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 55519807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).