N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide

C18H17F3N2O4S — CID 55596596

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2OC(F)F)ccc1F
InChIInChI=1S/C18H17F3N2O4S/c1-2-9-23-28(25,26)16-10-12(7-8-14(16)19)17(24)22-11-13-5-3-4-6-15(13)27-18(20)21/h2-8,10,18,23H,1,9,11H2,(H,22,24)
InChIKeyUYRNAVXLPAFPJC-UHFFFAOYSA-N
MW414.41 g/mol
LogP2.82
Rot. Bonds9

About N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide

N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55596596) has the molecular formula C18H17F3N2O4S and a molecular weight of 414.41 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID55596596
Molecular FormulaC18H17F3N2O4S
Molecular Weight414.41 g/mol
Exact Mass414.09
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2OC(F)F)ccc1F
InChIInChI=1S/C18H17F3N2O4S/c1-2-9-23-28(25,26)16-10-12(7-8-14(16)19)17(24)22-11-13-5-3-4-6-15(13)27-18(20)21/h2-8,10,18,23H,1,9,11H2,(H,22,24)
InChIKeyUYRNAVXLPAFPJC-UHFFFAOYSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.82
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

4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55581588
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 126479526
4-(benzenesulfonamido)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 30254086
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55596549
N-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 39294946
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55992642
methyl (2R)-2-[[4-fluoro-3-(prop-2-enylsulfamoyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 55938605
3-(cyclopentylsulfamoyl)-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 46588506
3-acetamido-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]benzamide
CID 56786643
4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide
CID 55796321

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide (CID 55596596) is N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccccc2OC(F)F)ccc1F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is UYRNAVXLPAFPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4S/c1-2-9-23-28(25,26)16-10-12(7-8-14(16)19)17(24)22-11-13-5-3-4-6-15(13)27-18(20)21/h2-8,10,18,23H,1,9,11H2,(H,22,24).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 414.41 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55596596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).