5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

C23H17F3N2O3S2 — CID 50810605

IUPAC5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCN(c1ccc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H17F3N2O3S2/c1-28(33(30,31)19-8-3-2-4-9-19)18-10-11-20-15(12-18)13-21(32-20)22(29)27-17-7-5-6-16(14-17)23(24,25)26/h2-14H,1H3,(H,27,29)
InChIKeyYSUXUBWYNZTBKR-UHFFFAOYSA-N
MW490.53 g/mol
LogP6.00
Rot. Bonds5

About 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 50810605) has the molecular formula C23H17F3N2O3S2 and a molecular weight of 490.53 g/mol. Its IUPAC name is 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID50810605
Molecular FormulaC23H17F3N2O3S2
Molecular Weight490.53 g/mol
Exact Mass490.06
IUPAC Name5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCN(c1ccc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H17F3N2O3S2/c1-28(33(30,31)19-8-3-2-4-9-19)18-10-11-20-15(12-18)13-21(32-20)22(29)27-17-7-5-6-16(14-17)23(24,25)26/h2-14H,1H3,(H,27,29)
InChIKeyYSUXUBWYNZTBKR-UHFFFAOYSA-N
XLogP6.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[benzenesulfonyl(methyl)amino]-N-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 50810511
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
5-[benzenesulfonyl(methyl)amino]-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 50810295
4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1265832
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 17246838
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(4-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 17246828
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087855
5-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)-1-benzothiophene-2-carboxamide
CID 17246826
N-(2-ethylphenyl)-5-[methyl-(4-methylphenyl)sulfonylamino]-1-benzothiophene-2-carboxamide
CID 50810758
5-[(4-chlorophenyl)sulfonyl-methylamino]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11234881
N-[3-[(2-fluorophenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 170943949
5-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 50810455

Frequently Asked Questions

What is the IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide (CID 50810605) is 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide is CN(c1ccc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is YSUXUBWYNZTBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O3S2/c1-28(33(30,31)19-8-3-2-4-9-19)18-10-11-20-15(12-18)13-21(32-20)22(29)27-17-7-5-6-16(14-17)23(24,25)26/h2-14H,1H3,(H,27,29).
What are the key properties of 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide?
5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzenesulfonyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 50810605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).