1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine

C21H15F3N2O3S — CID 66757813

IUPAC1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc(C(F)(F)F)cc4)c32)cc1
InChIInChI=1S/C21H15F3N2O3S/c1-29-17-6-8-18(9-7-17)30(27,28)26-13-11-15-10-12-25-19(20(15)26)14-2-4-16(5-3-14)21(22,23)24/h2-13H,1H3
InChIKeyXSDFYADRAKQYLJ-UHFFFAOYSA-N
MW432.42 g/mol
LogP4.97
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine

1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine (PubChem CID 66757813) has the molecular formula C21H15F3N2O3S and a molecular weight of 432.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine
PubChem CID66757813
Molecular FormulaC21H15F3N2O3S
Molecular Weight432.42 g/mol
Exact Mass432.08
IUPAC Name1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc(C(F)(F)F)cc4)c32)cc1
InChIInChI=1S/C21H15F3N2O3S/c1-29-17-6-8-18(9-7-17)30(27,28)26-13-11-15-10-12-25-19(20(15)26)14-2-4-16(5-3-14)21(22,23)24/h2-13H,1H3
InChIKeyXSDFYADRAKQYLJ-UHFFFAOYSA-N
XLogP4.97
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine 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 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine (CID 66757813) is 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine is COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc(C(F)(F)F)cc4)c32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine?
The InChIKey is XSDFYADRAKQYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3S/c1-29-17-6-8-18(9-7-17)30(27,28)26-13-11-15-10-12-25-19(20(15)26)14-2-4-16(5-3-14)21(22,23)24/h2-13H,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine?
1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine has a molecular weight of 432.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-7-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 66757813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).