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

C17H17FN2O4S — CID 90579532

IUPAC5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC#CCOc1ccc(C)nc1
InChIInChI=1S/C17H17FN2O4S/c1-13-5-7-15(12-19-13)24-10-4-3-9-20-25(21,22)17-11-14(18)6-8-16(17)23-2/h5-8,11-12,20H,9-10H2,1-2H3
InChIKeyXGPSDLWUGQDZDX-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.90
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide (PubChem CID 90579532) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide
PubChem CID90579532
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCC#CCOc1ccc(C)nc1
InChIInChI=1S/C17H17FN2O4S/c1-13-5-7-15(12-19-13)24-10-4-3-9-20-25(21,22)17-11-14(18)6-8-16(17)23-2/h5-8,11-12,20H,9-10H2,1-2H3
InChIKeyXGPSDLWUGQDZDX-UHFFFAOYSA-N
XLogP1.90
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 71803186
5-fluoro-2-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)benzenesulfonamide
CID 90578313
2-methoxy-N-(4-pyridin-3-yloxybut-2-ynyl)benzenesulfonamide
CID 90579141
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-nitrobenzenesulfonamide
CID 90579524
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90579556
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 90578714
N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577516
2-methoxy-N-[4-(2-methylphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575454
N-[3-(2-chlorophenyl)prop-2-ynyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 90552990
2-(2-methoxyphenoxy)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
CID 90579328
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
2-[3-[(5-fluoro-2-methoxyphenyl)sulfonylamino]prop-1-ynyl]-N-methylbenzamide
CID 90553698

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide (CID 90579532) is 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCC#CCOc1ccc(C)nc1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide?
The InChIKey is XGPSDLWUGQDZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-13-5-7-15(12-19-13)24-10-4-3-9-20-25(21,22)17-11-14(18)6-8-16(17)23-2/h5-8,11-12,20H,9-10H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide has a molecular weight of 364.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzenesulfonamide is sourced from PubChem (CID 90579532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).