N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide

C16H12F6N2O3S — CID 2739859

IUPACN-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide
SMILESO=C(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F6N2O3S/c17-15(18,19)10-3-1-5-12(7-10)23-14(25)9-28(26,27)24-13-6-2-4-11(8-13)16(20,21)22/h1-8,24H,9H2,(H,23,25)
InChIKeyZVKYBCZFAWOTCX-UHFFFAOYSA-N
MW426.34 g/mol
LogP4.10
Rot. Bonds5

About N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide

N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide (PubChem CID 2739859) has the molecular formula C16H12F6N2O3S and a molecular weight of 426.34 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide
PubChem CID2739859
Molecular FormulaC16H12F6N2O3S
Molecular Weight426.34 g/mol
Exact Mass426.05
IUPAC NameN-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide
SMILESO=C(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12F6N2O3S/c17-15(18,19)10-3-1-5-12(7-10)23-14(25)9-28(26,27)24-13-6-2-4-11(8-13)16(20,21)22/h1-8,24H,9H2,(H,23,25)
InChIKeyZVKYBCZFAWOTCX-UHFFFAOYSA-N
XLogP4.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide (CID 2739859) is N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide is O=C(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide?
The InChIKey is ZVKYBCZFAWOTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O3S/c17-15(18,19)10-3-1-5-12(7-10)23-14(25)9-28(26,27)24-13-6-2-4-11(8-13)16(20,21)22/h1-8,24H,9H2,(H,23,25).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide?
N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide has a molecular weight of 426.34 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfamoyl]acetamide is sourced from PubChem (CID 2739859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).