N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H16ClF3N2O4S — CID 4832965

IUPACN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)ccc1Cl
InChIInChI=1S/C20H16ClF3N2O4S/c1-26(2)31(28,29)18-11-14(6-7-15(18)21)25-19(27)17-9-8-16(30-17)12-4-3-5-13(10-12)20(22,23)24/h3-11H,1-2H3,(H,25,27)
InChIKeyGTLACWBKMZFTMH-UHFFFAOYSA-N
MW472.87 g/mol
LogP5.12
Rot. Bonds5

About N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 4832965) has the molecular formula C20H16ClF3N2O4S and a molecular weight of 472.87 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID4832965
Molecular FormulaC20H16ClF3N2O4S
Molecular Weight472.87 g/mol
Exact Mass472.05
IUPAC NameN-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)ccc1Cl
InChIInChI=1S/C20H16ClF3N2O4S/c1-26(2)31(28,29)18-11-14(6-7-15(18)21)25-19(27)17-9-8-16(30-17)12-4-3-5-13(10-12)20(22,23)24/h3-11H,1-2H3,(H,25,27)
InChIKeyGTLACWBKMZFTMH-UHFFFAOYSA-N
XLogP5.12
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.87
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 38956788
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 29142847
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26846382
2-chloro-5-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1310378

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 4832965) is N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is GTLACWBKMZFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O4S/c1-26(2)31(28,29)18-11-14(6-7-15(18)21)25-19(27)17-9-8-16(30-17)12-4-3-5-13(10-12)20(22,23)24/h3-11H,1-2H3,(H,25,27).
What are the key properties of N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 472.87 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 4832965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).