2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

C21H16F4N2O3S — CID 169308185

IUPAC2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2F)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F4N2O3S/c1-13-11-15(26-20(28)17-7-2-3-8-18(17)22)9-10-19(13)31(29,30)27-16-6-4-5-14(12-16)21(23,24)25/h2-12,27H,1H3,(H,26,28)
InChIKeyGDYRUDVPGRSBFH-UHFFFAOYSA-N
MW452.43 g/mol
LogP5.21
Rot. Bonds5

About 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide

2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (PubChem CID 169308185) has the molecular formula C21H16F4N2O3S and a molecular weight of 452.43 g/mol. Its IUPAC name is 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
PubChem CID169308185
Molecular FormulaC21H16F4N2O3S
Molecular Weight452.43 g/mol
Exact Mass452.08
IUPAC Name2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2F)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F4N2O3S/c1-13-11-15(26-20(28)17-7-2-3-8-18(17)22)9-10-19(13)31(29,30)27-16-6-4-5-14(12-16)21(23,24)25/h2-12,27H,1H3,(H,26,28)
InChIKeyGDYRUDVPGRSBFH-UHFFFAOYSA-N
XLogP5.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.43
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 169307902
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 169307992
N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide
CID 170343075
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-3-carboxamide
CID 169307937
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
3-acetamido-N-[4-methyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 25359012
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593339
3-methyl-2-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 31245458
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90102064

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide (CID 169308185) is 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is Cc1cc(NC(=O)c2ccccc2F)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
The InChIKey is GDYRUDVPGRSBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O3S/c1-13-11-15(26-20(28)17-7-2-3-8-18(17)22)9-10-19(13)31(29,30)27-16-6-4-5-14(12-16)21(23,24)25/h2-12,27H,1H3,(H,26,28).
What are the key properties of 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide?
2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide has a molecular weight of 452.43 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 169308185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).