N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide

C17H15F3N2O3S — CID 90579555

IUPACN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(OCC#CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H15F3N2O3S/c1-13-7-8-15(12-21-13)25-10-3-2-9-22-26(23,24)16-6-4-5-14(11-16)17(18,19)20/h4-8,11-12,22H,9-10H2,1H3
InChIKeyYTTXMJIBGAYSBL-UHFFFAOYSA-N
MW384.38 g/mol
LogP2.77
Rot. Bonds5

About N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide

N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 90579555) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID90579555
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(OCC#CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H15F3N2O3S/c1-13-7-8-15(12-21-13)25-10-3-2-9-22-26(23,24)16-6-4-5-14(11-16)17(18,19)20/h4-8,11-12,22H,9-10H2,1H3
InChIKeyYTTXMJIBGAYSBL-UHFFFAOYSA-N
XLogP2.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90579556
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90577946
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3,5-bis(trifluoromethyl)benzamide
CID 90579313
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90576066
N-[4-[4-[3-(trifluoromethyl)phenoxy]but-2-ynylsulfamoyl]phenyl]acetamide
CID 71803054
5-methyl-N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]thiophene-2-sulfonamide
CID 90576044
5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide
CID 90579532
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]propane-2-sulfonamide
CID 90576057
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-nitrobenzenesulfonamide
CID 90579524
N-[4-[3-(trifluoromethyl)phenoxy]but-2-ynyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90576082
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30867149

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide (CID 90579555) is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(OCC#CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YTTXMJIBGAYSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c1-13-7-8-15(12-21-13)25-10-3-2-9-22-26(23,24)16-6-4-5-14(11-16)17(18,19)20/h4-8,11-12,22H,9-10H2,1H3.
What are the key properties of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 384.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90579555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).