2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide

C18H17F5N2O4S — CID 76902815

IUPAC2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C18H17F5N2O4S/c1-10(9-29-2)25-30(27,28)12-4-6-15(19)13(8-12)17(26)24-11-3-5-14(16(20)7-11)18(21,22)23/h3-8,10,25H,9H2,1-2H3,(H,24,26)/t10-/m1/s1
InChIKeyFAPRVBARSYNTEM-SNVBAGLBSA-N
MW452.40 g/mol
LogP3.55
Rot. Bonds7

About 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide

2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide (PubChem CID 76902815) has the molecular formula C18H17F5N2O4S and a molecular weight of 452.40 g/mol. Its IUPAC name is 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
PubChem CID76902815
Molecular FormulaC18H17F5N2O4S
Molecular Weight452.40 g/mol
Exact Mass452.08
IUPAC Name2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C18H17F5N2O4S/c1-10(9-29-2)25-30(27,28)12-4-6-15(19)13(8-12)17(26)24-11-3-5-14(16(20)7-11)18(21,22)23/h3-8,10,25H,9H2,1-2H3,(H,24,26)/t10-/m1/s1
InChIKeyFAPRVBARSYNTEM-SNVBAGLBSA-N
XLogP3.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide with MolForge

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Related Compounds

5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 90259140
N-(3-chloro-4-fluorophenyl)-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9165962
(2R)-2-[[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylamino]propanoic acid
CID 76901469
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
N-(3-amino-4-fluorophenyl)-5-[[(2S)-butan-2-yl]sulfamoyl]-2-methylbenzamide
CID 155431543
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965
5-[(1-cyclopropyl-2,2,2-trifluoroethyl)sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90259055
3-chloro-4-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 5184702
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 42906818
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 46616213
N-(3,4-difluorophenyl)-2-methoxy-5-(3-methylbutan-2-ylsulfamoyl)benzamide
CID 118677106

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide (CID 76902815) is 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide is COC[C@@H](C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)c1.
What is the InChIKey of 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The InChIKey is FAPRVBARSYNTEM-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17F5N2O4S/c1-10(9-29-2)25-30(27,28)12-4-6-15(19)13(8-12)17(26)24-11-3-5-14(16(20)7-11)18(21,22)23/h3-8,10,25H,9H2,1-2H3,(H,24,26)/t10-/m1/s1.
What are the key properties of 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide has a molecular weight of 452.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 76902815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).