N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C24H24F3N3O6S2 — CID 4106753

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C24H24F3N3O6S2/c1-3-30(4-2)38(35,36)20-11-12-22(31)21(15-20)28-23(32)16-7-5-10-19(13-16)37(33,34)29-18-9-6-8-17(14-18)24(25,26)27/h5-15,29,31H,3-4H2,1-2H3,(H,28,32)
InChIKeyRQYQJQQEXAWLMM-UHFFFAOYSA-N
MW571.60 g/mol
LogP4.49
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 4106753) has the molecular formula C24H24F3N3O6S2 and a molecular weight of 571.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID4106753
Molecular FormulaC24H24F3N3O6S2
Molecular Weight571.60 g/mol
Exact Mass571.11
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1
InChIInChI=1S/C24H24F3N3O6S2/c1-3-30(4-2)38(35,36)20-11-12-22(31)21(15-20)28-23(32)16-7-5-10-19(13-16)37(33,34)29-18-9-6-8-17(14-18)24(25,26)27/h5-15,29,31H,3-4H2,1-2H3,(H,28,32)
InChIKeyRQYQJQQEXAWLMM-UHFFFAOYSA-N
XLogP4.49
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.60
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 4106753) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is RQYQJQQEXAWLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O6S2/c1-3-30(4-2)38(35,36)20-11-12-22(31)21(15-20)28-23(32)16-7-5-10-19(13-16)37(33,34)29-18-9-6-8-17(14-18)24(25,26)27/h5-15,29,31H,3-4H2,1-2H3,(H,28,32).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 571.60 g/mol, XLogP of 4.49, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 4106753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).