7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide

C24H19ClF3N3O5S — CID 141488549

IUPAC7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)n3C)c1
InChIInChI=1S/C24H19ClF3N3O5S/c1-31-19(23(32)30-37(33,34)21-9-4-3-8-20(21)36-24(26,27)28)13-16-18(11-10-17(25)22(16)31)29-14-6-5-7-15(12-14)35-2/h3-13,29H,1-2H3,(H,30,32)
InChIKeyWMFJWTUVJSRWOW-UHFFFAOYSA-N
MW553.95 g/mol
LogP5.60
Rot. Bonds7

About 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide

7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide (PubChem CID 141488549) has the molecular formula C24H19ClF3N3O5S and a molecular weight of 553.95 g/mol. Its IUPAC name is 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide
PubChem CID141488549
Molecular FormulaC24H19ClF3N3O5S
Molecular Weight553.95 g/mol
Exact Mass553.07
IUPAC Name7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)n3C)c1
InChIInChI=1S/C24H19ClF3N3O5S/c1-31-19(23(32)30-37(33,34)21-9-4-3-8-20(21)36-24(26,27)28)13-16-18(11-10-17(25)22(16)31)29-14-6-5-7-15(12-14)35-2/h3-13,29H,1-2H3,(H,30,32)
InChIKeyWMFJWTUVJSRWOW-UHFFFAOYSA-N
XLogP5.60
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.95
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide?
The IUPAC name of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide (CID 141488549) is 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide.
What is the SMILES notation for 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide?
The canonical SMILES for 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide is COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)n3C)c1.
What is the InChIKey of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide?
The InChIKey is WMFJWTUVJSRWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O5S/c1-31-19(23(32)30-37(33,34)21-9-4-3-8-20(21)36-24(26,27)28)13-16-18(11-10-17(25)22(16)31)29-14-6-5-7-15(12-14)35-2/h3-13,29H,1-2H3,(H,30,32).
What are the key properties of 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide?
7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide has a molecular weight of 553.95 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(3-methoxyanilino)-1-methyl-N-[2-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide is sourced from PubChem (CID 141488549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).