2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide

C18H17FN2O5S — CID 71803327

IUPAC2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide
SMILESCOc1ccc(S(=O)(=O)NCC#CCOc2ccccc2C(N)=O)cc1F
InChIInChI=1S/C18H17FN2O5S/c1-25-17-9-8-13(12-15(17)19)27(23,24)21-10-4-5-11-26-16-7-3-2-6-14(16)18(20)22/h2-3,6-9,12,21H,10-11H2,1H3,(H2,20,22)
InChIKeyXGGZDOCUIZLORD-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.29
Rot. Bonds7

About 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide

2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide (PubChem CID 71803327) has the molecular formula C18H17FN2O5S and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide.

Molecular Properties

Compound Name2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide
PubChem CID71803327
Molecular FormulaC18H17FN2O5S
Molecular Weight392.41 g/mol
Exact Mass392.08
IUPAC Name2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide
SMILESCOc1ccc(S(=O)(=O)NCC#CCOc2ccccc2C(N)=O)cc1F
InChIInChI=1S/C18H17FN2O5S/c1-25-17-9-8-13(12-15(17)19)27(23,24)21-10-4-5-11-26-16-7-3-2-6-14(16)18(20)22/h2-3,6-9,12,21H,10-11H2,1H3,(H2,20,22)
InChIKeyXGGZDOCUIZLORD-UHFFFAOYSA-N
XLogP1.29
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-chlorophenoxy)but-2-ynyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 90575075
2-[4-[(2,4-difluorophenyl)sulfonylamino]but-2-ynoxy]benzamide
CID 90580636
4-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575714
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]-3-methylbenzenesulfonamide
CID 90575722
2-[4-[(2,5-difluorophenyl)methylsulfonylamino]but-2-ynoxy]benzamide
CID 90580670
N-[4-(3-bromophenoxy)but-2-ynyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 90576755
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-4-fluorobenzenesulfonamide
CID 90577897
4-methoxy-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 90575717
2-fluoro-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzenesulfonamide
CID 71802972
methyl 4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]benzoate
CID 90577962
2-[4-[(2,4-dichloro-5-methylphenyl)sulfonylamino]but-2-ynoxy]benzamide
CID 71803322
N-[4-[4-(2,4-difluorophenoxy)but-2-ynylsulfamoyl]phenyl]acetamide
CID 90577902

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide?
The IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide (CID 71803327) is 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide.
What is the SMILES notation for 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide?
The canonical SMILES for 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide is COc1ccc(S(=O)(=O)NCC#CCOc2ccccc2C(N)=O)cc1F.
What is the InChIKey of 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide?
The InChIKey is XGGZDOCUIZLORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5S/c1-25-17-9-8-13(12-15(17)19)27(23,24)21-10-4-5-11-26-16-7-3-2-6-14(16)18(20)22/h2-3,6-9,12,21H,10-11H2,1H3,(H2,20,22).
What are the key properties of 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide?
2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide has a molecular weight of 392.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]but-2-ynoxy]benzamide is sourced from PubChem (CID 71803327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).