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

C21H19N3O4S — CID 50940068

IUPACN-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(Nc2nccc3ccn(S(=O)(=O)c4ccc(OC)cc4)c23)cc1
InChIInChI=1S/C21H19N3O4S/c1-27-17-5-3-16(4-6-17)23-21-20-15(11-13-22-21)12-14-24(20)29(25,26)19-9-7-18(28-2)8-10-19/h3-14H,1-2H3,(H,22,23)
InChIKeyRIVMWYLRKBDGLS-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.03
Rot. Bonds6

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

N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 50940068) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
PubChem CID50940068
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
SMILESCOc1ccc(Nc2nccc3ccn(S(=O)(=O)c4ccc(OC)cc4)c23)cc1
InChIInChI=1S/C21H19N3O4S/c1-27-17-5-3-16(4-6-17)23-21-20-15(11-13-22-21)12-14-24(20)29(25,26)19-9-7-18(28-2)8-10-19/h3-14H,1-2H3,(H,22,23)
InChIKeyRIVMWYLRKBDGLS-UHFFFAOYSA-N
XLogP4.03
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine (CID 50940068) is N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine is COc1ccc(Nc2nccc3ccn(S(=O)(=O)c4ccc(OC)cc4)c23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is RIVMWYLRKBDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-27-17-5-3-16(4-6-17)23-21-20-15(11-13-22-21)12-14-24(20)29(25,26)19-9-7-18(28-2)8-10-19/h3-14H,1-2H3,(H,22,23).
What are the key properties of N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine?
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 409.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 50940068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).