2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide

C17H17FN2O4S — CID 39827756

IUPAC2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H17FN2O4S/c1-3-10-19-17(21)13-6-4-5-7-15(13)20-25(22,23)12-8-9-16(24-2)14(18)11-12/h3-9,11,20H,1,10H2,2H3,(H,19,21)
InChIKeyLNSFYIIRIIQLSH-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.55
Rot. Bonds7

About 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide

2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide (PubChem CID 39827756) has the molecular formula C17H17FN2O4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
PubChem CID39827756
Molecular FormulaC17H17FN2O4S
Molecular Weight364.40 g/mol
Exact Mass364.09
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C17H17FN2O4S/c1-3-10-19-17(21)13-6-4-5-7-15(13)20-25(22,23)12-8-9-16(24-2)14(18)11-12/h3-9,11,20H,1,10H2,2H3,(H,19,21)
InChIKeyLNSFYIIRIIQLSH-UHFFFAOYSA-N
XLogP2.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 51170213
2-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 34743144
2-[(4-phenoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 92683033
2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]amino]-N-prop-2-enylbenzamide
CID 43899862
2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 46680428
N-prop-2-enyl-2-[[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]sulfonylamino]benzamide
CID 55879588
2-[(2-oxochromen-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 43053206
2-[(4-methoxy-2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 18148183
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 31324729
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide (CID 39827756) is 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
The InChIKey is LNSFYIIRIIQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4S/c1-3-10-19-17(21)13-6-4-5-7-15(13)20-25(22,23)12-8-9-16(24-2)14(18)11-12/h3-9,11,20H,1,10H2,2H3,(H,19,21).
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide?
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide has a molecular weight of 364.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 39827756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).