2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide

C17H17FN2O4S — CID 50894708

IUPAC2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1cccc(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O4S/c1-2-10-24-15-5-3-4-14(11-15)20(12-17(19)21)25(22,23)16-8-6-13(18)7-9-16/h2-9,11H,1,10,12H2,(H2,19,21)
InChIKeyDLFCDRIKGAPDIU-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.07
Rot. Bonds8

About 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide

2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide (PubChem CID 50894708) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide
PubChem CID50894708
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1cccc(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H17FN2O4S/c1-2-10-24-15-5-3-4-14(11-15)20(12-17(19)21)25(22,23)16-8-6-13(18)7-9-16/h2-9,11H,1,10,12H2,(H2,19,21)
InChIKeyDLFCDRIKGAPDIU-UHFFFAOYSA-N
XLogP2.07
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 50894740
2-(N-(3-nitrophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide
CID 50894530
2-[N-(benzenesulfonyl)-3-prop-2-enoxyanilino]acetic acid
CID 50894797
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-(3-prop-2-enoxyphenyl)acetamide
CID 30275896
2-(N-(4-chlorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetyl chloride
CID 50894360
methyl 2-(N-(4-methylphenyl)sulfonyl-3-prop-2-enoxyanilino)acetate
CID 50894425
3-(N-(4-bromophenyl)sulfonyl-3-prop-2-enoxyanilino)propanoic acid
CID 50894770
2-(N-(3-nitrophenyl)sulfonyl-3-prop-2-enoxyanilino)acetic acid
CID 50894463
2-(N-(4-bromophenyl)sulfonyl-3-methoxyanilino)acetamide
CID 50891585
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
propan-2-yl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetate
CID 50894532
2-(N-(4-bromophenyl)sulfonyl-4-fluoroanilino)acetamide
CID 50890571

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide (CID 50894708) is 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide is C=CCOc1cccc(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide?
The InChIKey is DLFCDRIKGAPDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-2-10-24-15-5-3-4-14(11-15)20(12-17(19)21)25(22,23)16-8-6-13(18)7-9-16/h2-9,11H,1,10,12H2,(H2,19,21).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide?
2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide has a molecular weight of 364.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 50894708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).