7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide

C23H19ClFN3O4S — CID 141488718

IUPAC7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2F)n3C)c1
InChIInChI=1S/C23H19ClFN3O4S/c1-28-20(23(29)27-33(30,31)21-9-4-3-8-18(21)25)13-16-19(11-10-17(24)22(16)28)26-14-6-5-7-15(12-14)32-2/h3-13,26H,1-2H3,(H,27,29)
InChIKeySTUQIFHRGQKHDL-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.84
Rot. Bonds6

About 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide

7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide (PubChem CID 141488718) has the molecular formula C23H19ClFN3O4S and a molecular weight of 487.94 g/mol. Its IUPAC name is 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
PubChem CID141488718
Molecular FormulaC23H19ClFN3O4S
Molecular Weight487.94 g/mol
Exact Mass487.08
IUPAC Name7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide
SMILESCOc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2F)n3C)c1
InChIInChI=1S/C23H19ClFN3O4S/c1-28-20(23(29)27-33(30,31)21-9-4-3-8-18(21)25)13-16-19(11-10-17(24)22(16)28)26-14-6-5-7-15(12-14)32-2/h3-13,26H,1-2H3,(H,27,29)
InChIKeySTUQIFHRGQKHDL-UHFFFAOYSA-N
XLogP4.84
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
The IUPAC name of 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide (CID 141488718) is 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide is COc1cccc(Nc2ccc(Cl)c3c2cc(C(=O)NS(=O)(=O)c2ccccc2F)n3C)c1.
What is the InChIKey of 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
The InChIKey is STUQIFHRGQKHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O4S/c1-28-20(23(29)27-33(30,31)21-9-4-3-8-18(21)25)13-16-19(11-10-17(24)22(16)28)26-14-6-5-7-15(12-14)32-2/h3-13,26H,1-2H3,(H,27,29).
What are the key properties of 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide?
7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide has a molecular weight of 487.94 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-fluorophenyl)sulfonyl-4-(3-methoxyanilino)-1-methylindole-2-carboxamide is sourced from PubChem (CID 141488718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).