N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide

C18H13F3N4O3S — CID 6734599

IUPACN-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NN=Cc1ccnc2ccccc12
InChIInChI=1S/C18H13F3N4O3S/c19-18(20,21)13-5-6-17(23-10-13)29(27,28)11-16(26)25-24-9-12-7-8-22-15-4-2-1-3-14(12)15/h1-10H,11H2,(H,25,26)
InChIKeyYPRQTXNGBQZKDX-UHFFFAOYSA-N
MW422.39 g/mol
LogP2.57
Rot. Bonds5

About N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide

N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide (PubChem CID 6734599) has the molecular formula C18H13F3N4O3S and a molecular weight of 422.39 g/mol. Its IUPAC name is N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide
PubChem CID6734599
Molecular FormulaC18H13F3N4O3S
Molecular Weight422.39 g/mol
Exact Mass422.07
IUPAC NameN-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NN=Cc1ccnc2ccccc12
InChIInChI=1S/C18H13F3N4O3S/c19-18(20,21)13-5-6-17(23-10-13)29(27,28)11-16(26)25-24-9-12-7-8-22-15-4-2-1-3-14(12)15/h1-10H,11H2,(H,25,26)
InChIKeyYPRQTXNGBQZKDX-UHFFFAOYSA-N
XLogP2.57
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3,4-dibromophenyl)methylideneamino]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide
CID 45109409
methyl N-[(E)-quinolin-4-ylmethylideneamino]carbamate
CID 5354484
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]isoquinoline-1-carboxamide
CID 127037692
3-(furan-2-yl)-N-(quinolin-4-ylmethylideneamino)prop-2-enamide
CID 6734706
N-(quinolin-4-ylmethylideneamino)formamide
CID 73233132
3-methyl-2-methylsulfanyl-N-(quinolin-4-ylmethylideneamino)imidazole-4-carboxamide
CID 6735332
2-[(2E)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoic acid
CID 20846182
4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
CID 7732012
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetonitrile
CID 2820801
3-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]-1H-indole-2-carboxamide
CID 10157205
4-methoxy-N-(quinolin-5-ylmethylideneamino)benzamide
CID 172709506

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide?
The IUPAC name of N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide (CID 6734599) is N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide.
What is the SMILES notation for N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide?
The canonical SMILES for N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide is O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NN=Cc1ccnc2ccccc12.
What is the InChIKey of N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide?
The InChIKey is YPRQTXNGBQZKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3S/c19-18(20,21)13-5-6-17(23-10-13)29(27,28)11-16(26)25-24-9-12-7-8-22-15-4-2-1-3-14(12)15/h1-10H,11H2,(H,25,26).
What are the key properties of N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide?
N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide has a molecular weight of 422.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethylideneamino)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetamide is sourced from PubChem (CID 6734599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).