N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide

C22H21N3O4S — CID 71617338

IUPACN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)ccc2OCc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C22H21N3O4S/c1-25-13-19(17-10-11-23-21(17)22(25)26)18-12-16(24-30(2,27)28)8-9-20(18)29-14-15-6-4-3-5-7-15/h3-13,23-24H,14H2,1-2H3
InChIKeyZXUXOEACJYQVPI-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.48
Rot. Bonds6

About N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide

N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide (PubChem CID 71617338) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide
PubChem CID71617338
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide
SMILESCn1cc(-c2cc(NS(C)(=O)=O)ccc2OCc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C22H21N3O4S/c1-25-13-19(17-10-11-23-21(17)22(25)26)18-12-16(24-30(2,27)28)8-9-20(18)29-14-15-6-4-3-5-7-15/h3-13,23-24H,14H2,1-2H3
InChIKeyZXUXOEACJYQVPI-UHFFFAOYSA-N
XLogP3.48
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide?
The IUPAC name of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide (CID 71617338) is N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide is Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OCc2ccccc2)c2cc[nH]c2c1=O.
What is the InChIKey of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide?
The InChIKey is ZXUXOEACJYQVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-25-13-19(17-10-11-23-21(17)22(25)26)18-12-16(24-30(2,27)28)8-9-20(18)29-14-15-6-4-3-5-7-15/h3-13,23-24H,14H2,1-2H3.
What are the key properties of N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide?
N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenylmethoxyphenyl]methanesulfonamide is sourced from PubChem (CID 71617338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).