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

C18H13F3N2O4S — CID 4789221

IUPACN-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C18H13F3N2O4S/c19-18(20,21)12-4-1-3-11(9-12)15-7-8-16(27-15)17(24)23-13-5-2-6-14(10-13)28(22,25)26/h1-10H,(H,23,24)(H2,22,25,26)
InChIKeyGQQCDBOZZIVGEB-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.87
Rot. Bonds4

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

N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 4789221) has the molecular formula C18H13F3N2O4S and a molecular weight of 410.37 g/mol. Its IUPAC name is N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID4789221
Molecular FormulaC18H13F3N2O4S
Molecular Weight410.37 g/mol
Exact Mass410.05
IUPAC NameN-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C18H13F3N2O4S/c19-18(20,21)12-4-1-3-11(9-12)15-7-8-16(27-15)17(24)23-13-5-2-6-14(10-13)28(22,25)26/h1-10H,(H,23,24)(H2,22,25,26)
InChIKeyGQQCDBOZZIVGEB-UHFFFAOYSA-N
XLogP3.87
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26846382
N-[1-(3-sulfamoylphenyl)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55396044
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4832965
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 46401276
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
CID 39154493
1-(3-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 4850568

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 4789221) is N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1.
What is the InChIKey of N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is GQQCDBOZZIVGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O4S/c19-18(20,21)12-4-1-3-11(9-12)15-7-8-16(27-15)17(24)23-13-5-2-6-14(10-13)28(22,25)26/h1-10H,(H,23,24)(H2,22,25,26).
What are the key properties of N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 410.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 4789221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).