N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine

C20H16FN3O3S — CID 50940069

IUPACN-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C20H16FN3O3S/c1-27-17-6-8-18(9-7-17)28(25,26)24-13-11-14-10-12-22-20(19(14)24)23-16-4-2-15(21)3-5-16/h2-13H,1H3,(H,22,23)
InChIKeyCMDHFGSTWADFIY-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.16
Rot. Bonds5

About N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine

N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 50940069) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
PubChem CID50940069
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC NameN-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C20H16FN3O3S/c1-27-17-6-8-18(9-7-17)28(25,26)24-13-11-14-10-12-22-20(19(14)24)23-16-4-2-15(21)3-5-16/h2-13H,1H3,(H,22,23)
InChIKeyCMDHFGSTWADFIY-UHFFFAOYSA-N
XLogP4.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine 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 N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine (CID 50940069) is N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine is COc1ccc(S(=O)(=O)n2ccc3ccnc(Nc4ccc(F)cc4)c32)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is CMDHFGSTWADFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-27-17-6-8-18(9-7-17)28(25,26)24-13-11-14-10-12-22-20(19(14)24)23-16-4-2-15(21)3-5-16/h2-13H,1H3,(H,22,23).
What are the key properties of N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 397.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 50940069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).