N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C21H17F3N2O3S — CID 2318816

IUPACN-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H17F3N2O3S/c22-21(23,24)17-9-5-10-18(13-17)26-30(28,29)19-11-4-8-16(12-19)20(27)25-14-15-6-2-1-3-7-15/h1-13,26H,14H2,(H,25,27)
InChIKeyZVMJYWFGKYCGQD-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.44
Rot. Bonds6

About N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 2318816) has the molecular formula C21H17F3N2O3S and a molecular weight of 434.44 g/mol. Its IUPAC name is N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID2318816
Molecular FormulaC21H17F3N2O3S
Molecular Weight434.44 g/mol
Exact Mass434.09
IUPAC NameN-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H17F3N2O3S/c22-21(23,24)17-9-5-10-18(13-17)26-30(28,29)19-11-4-8-16(12-19)20(27)25-14-15-6-2-1-3-7-15/h1-13,26H,14H2,(H,25,27)
InChIKeyZVMJYWFGKYCGQD-UHFFFAOYSA-N
XLogP4.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 2318816) is N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is O=C(NCc1ccccc1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is ZVMJYWFGKYCGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3S/c22-21(23,24)17-9-5-10-18(13-17)26-30(28,29)19-11-4-8-16(12-19)20(27)25-14-15-6-2-1-3-7-15/h1-13,26H,14H2,(H,25,27).
What are the key properties of N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 2318816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).