4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide

C28H25N3O7S2 — CID 86582916

IUPAC4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc(S(C)(=O)=O)cc3-c3cn(C)c(=O)c4[nH]ccc34)c2)cc1
InChIInChI=1S/C28H25N3O7S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(39(3,33)34)11-12-26(24)38-20-6-4-5-18(15-20)30-40(35,36)21-9-7-19(37-2)8-10-21/h4-17,29-30H,1-3H3
InChIKeyNNIOYGYUKRTEHO-UHFFFAOYSA-N
MW579.66 g/mol
LogP4.54
Rot. Bonds8

About 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide

4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide (PubChem CID 86582916) has the molecular formula C28H25N3O7S2 and a molecular weight of 579.66 g/mol. Its IUPAC name is 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide
PubChem CID86582916
Molecular FormulaC28H25N3O7S2
Molecular Weight579.66 g/mol
Exact Mass579.11
IUPAC Name4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc(S(C)(=O)=O)cc3-c3cn(C)c(=O)c4[nH]ccc34)c2)cc1
InChIInChI=1S/C28H25N3O7S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(39(3,33)34)11-12-26(24)38-20-6-4-5-18(15-20)30-40(35,36)21-9-7-19(37-2)8-10-21/h4-17,29-30H,1-3H3
InChIKeyNNIOYGYUKRTEHO-UHFFFAOYSA-N
XLogP4.54
TPSA136.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.66
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide 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 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide (CID 86582916) is 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Oc3ccc(S(C)(=O)=O)cc3-c3cn(C)c(=O)c4[nH]ccc34)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide?
The InChIKey is NNIOYGYUKRTEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O7S2/c1-31-17-25(23-13-14-29-27(23)28(31)32)24-16-22(39(3,33)34)11-12-26(24)38-20-6-4-5-18(15-20)30-40(35,36)21-9-7-19(37-2)8-10-21/h4-17,29-30H,1-3H3.
What are the key properties of 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide?
4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide has a molecular weight of 579.66 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 86582916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).