N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide

C18H13F3N4O4S — CID 71904589

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N4O4S/c19-18(20,21)29-14-6-2-12(3-7-14)16(26)24-13-4-8-15(9-5-13)30(27,28)25-17-22-10-1-11-23-17/h1-11H,(H,24,26)(H,22,23,25)
InChIKeyUAMVUIOGTVTGPF-UHFFFAOYSA-N
MW438.39 g/mol
LogP3.43
Rot. Bonds6

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 71904589) has the molecular formula C18H13F3N4O4S and a molecular weight of 438.39 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID71904589
Molecular FormulaC18H13F3N4O4S
Molecular Weight438.39 g/mol
Exact Mass438.06
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H13F3N4O4S/c19-18(20,21)29-14-6-2-12(3-7-14)16(26)24-13-4-8-15(9-5-13)30(27,28)25-17-22-10-1-11-23-17/h1-11H,(H,24,26)(H,22,23,25)
InChIKeyUAMVUIOGTVTGPF-UHFFFAOYSA-N
XLogP3.43
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide (CID 71904589) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is UAMVUIOGTVTGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O4S/c19-18(20,21)29-14-6-2-12(3-7-14)16(26)24-13-4-8-15(9-5-13)30(27,28)25-17-22-10-1-11-23-17/h1-11H,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 438.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71904589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).