N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide

C23H14Cl2F3NO4S — CID 68507164

IUPACN-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3c(C(F)(F)F)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C23H14Cl2F3NO4S/c1-34(31,32)29-15-4-2-3-12(9-15)13-5-7-17-19(10-13)33-22(20(17)23(26,27)28)21(30)16-8-6-14(24)11-18(16)25/h2-11,29H,1H3
InChIKeyAPSKTUGQUYOLSH-UHFFFAOYSA-N
MW528.34 g/mol
LogP7.03
Rot. Bonds5

About N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide

N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide (PubChem CID 68507164) has the molecular formula C23H14Cl2F3NO4S and a molecular weight of 528.34 g/mol. Its IUPAC name is N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide
PubChem CID68507164
Molecular FormulaC23H14Cl2F3NO4S
Molecular Weight528.34 g/mol
Exact Mass527.00
IUPAC NameN-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3c(C(F)(F)F)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1
InChIInChI=1S/C23H14Cl2F3NO4S/c1-34(31,32)29-15-4-2-3-12(9-15)13-5-7-17-19(10-13)33-22(20(17)23(26,27)28)21(30)16-8-6-14(24)11-18(16)25/h2-11,29H,1H3
InChIKeyAPSKTUGQUYOLSH-UHFFFAOYSA-N
XLogP7.03
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.34
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-Amino-6-(3-fluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
CID 59691870
[3-Amino-6-(3,5-difluorophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
CID 59691979
[3-Amino-6-(3-aminophenyl)-1-benzofuran-2-yl]-(2-chloro-4-fluorophenyl)methanone
CID 59691980
N-[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide
CID 59691987
N-[[3-[3-amino-2-(2-chloro-4-fluorobenzoyl)-1-benzofuran-6-yl]phenyl]methyl]methanesulfonamide
CID 59692035
N-{3-[2-(2,4-Dichloro-benzoyl)-3-trifluoromethyl-benzofuran-6-yl]-phenyl}-acetamide
CID 59788917
[6-(3-Aminophenyl)-3-(trifluoromethyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
CID 68512566
N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2-difluoroacetamide
CID 68690163
N-[3-[2-(2,4-dichlorobenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]-2,2,2-trifluoroacetamide
CID 87763517
[3-Amino-6-(3-fluoro-5-nitrosophenyl)-1-benzofuran-2-yl]-(2,4-dichlorophenyl)methanone
CID 89289475
[2-(2-Chloro-4-fluorobenzoyl)-6-[3-(methylsulfanylamino)phenyl]-1-benzofuran-3-yl]azanium
CID 142277656
[3-Amino-6-[3-(methylsulfanylamino)phenyl]-1-benzofuran-2-yl]-(2-chloro-4-fluorophenyl)methanone
CID 142277657

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide (CID 68507164) is N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3c(C(F)(F)F)c(C(=O)c4ccc(Cl)cc4Cl)oc3c2)c1.
What is the InChIKey of N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide?
The InChIKey is APSKTUGQUYOLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F3NO4S/c1-34(31,32)29-15-4-2-3-12(9-15)13-5-7-17-19(10-13)33-22(20(17)23(26,27)28)21(30)16-8-6-14(24)11-18(16)25/h2-11,29H,1H3.
What are the key properties of N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide?
N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide has a molecular weight of 528.34 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,4-dichlorobenzoyl)-3-(trifluoromethyl)-1-benzofuran-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 68507164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).