5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide

C18H12BrF3N2O4S — CID 39154493

IUPAC5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(Br)o1
InChIInChI=1S/C18H12BrF3N2O4S/c19-16-8-7-15(28-16)17(25)23-12-4-2-6-14(10-12)29(26,27)24-13-5-1-3-11(9-13)18(20,21)22/h1-10,24H,(H,23,25)
InChIKeyWOGSTSAPWJQJOB-UHFFFAOYSA-N
MW489.27 g/mol
LogP5.11
Rot. Bonds5

About 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide (PubChem CID 39154493) has the molecular formula C18H12BrF3N2O4S and a molecular weight of 489.27 g/mol. Its IUPAC name is 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
PubChem CID39154493
Molecular FormulaC18H12BrF3N2O4S
Molecular Weight489.27 g/mol
Exact Mass487.97
IUPAC Name5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(Br)o1
InChIInChI=1S/C18H12BrF3N2O4S/c19-16-8-7-15(28-16)17(25)23-12-4-2-6-14(10-12)29(26,27)24-13-5-1-3-11(9-13)18(20,21)22/h1-10,24H,(H,23,25)
InChIKeyWOGSTSAPWJQJOB-UHFFFAOYSA-N
XLogP5.11
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.27
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593339
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide
CID 3263192
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593345
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26846382
5-bromo-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]furan-2-carboxamide
CID 108933256
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
3-methyl-2-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 31245458

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide (CID 39154493) is 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide?
The InChIKey is WOGSTSAPWJQJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2O4S/c19-16-8-7-15(28-16)17(25)23-12-4-2-6-14(10-12)29(26,27)24-13-5-1-3-11(9-13)18(20,21)22/h1-10,24H,(H,23,25).
What are the key properties of 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide has a molecular weight of 489.27 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 39154493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).