N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide

C19H14F4N4O4S — CID 3474134

IUPACN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C19H14F4N4O4S/c20-17(21)19(22,23)31-14-4-1-3-12(11-14)16(28)26-13-5-7-15(8-6-13)32(29,30)27-18-24-9-2-10-25-18/h1-11,17H,(H,26,28)(H,24,25,27)
InChIKeyYDEDDRFBFGNZPB-UHFFFAOYSA-N
MW470.40 g/mol
LogP3.77
Rot. Bonds8

About N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide

N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 3474134) has the molecular formula C19H14F4N4O4S and a molecular weight of 470.40 g/mol. Its IUPAC name is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID3474134
Molecular FormulaC19H14F4N4O4S
Molecular Weight470.40 g/mol
Exact Mass470.07
IUPAC NameN-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C19H14F4N4O4S/c20-17(21)19(22,23)31-14-4-1-3-12(11-14)16(28)26-13-5-7-15(8-6-13)32(29,30)27-18-24-9-2-10-25-18/h1-11,17H,(H,26,28)(H,24,25,27)
InChIKeyYDEDDRFBFGNZPB-UHFFFAOYSA-N
XLogP3.77
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 3474134) is N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is YDEDDRFBFGNZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O4S/c20-17(21)19(22,23)31-14-4-1-3-12(11-14)16(28)26-13-5-7-15(8-6-13)32(29,30)27-18-24-9-2-10-25-18/h1-11,17H,(H,26,28)(H,24,25,27).
What are the key properties of N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 470.40 g/mol, XLogP of 3.77, 8 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]-3-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 3474134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).