5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide

C14H12N4O6S — CID 169329629

IUPAC5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1S(N)(=O)=O
InChIInChI=1S/C14H12N4O6S/c1-24-8-3-2-6(4-9(8)25(16,22)23)18-10(19)5-7-11(12(18)15)14(21)17-13(7)20/h2-5H,15H2,1H3,(H2,16,22,23)(H,17,20,21)
InChIKeyXPIICFLKUTYZEN-UHFFFAOYSA-N
MW364.34 g/mol
LogP-1.04
Rot. Bonds3

About 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide

5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 169329629) has the molecular formula C14H12N4O6S and a molecular weight of 364.34 g/mol. Its IUPAC name is 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide
PubChem CID169329629
Molecular FormulaC14H12N4O6S
Molecular Weight364.34 g/mol
Exact Mass364.05
IUPAC Name5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1S(N)(=O)=O
InChIInChI=1S/C14H12N4O6S/c1-24-8-3-2-6(4-9(8)25(16,22)23)18-10(19)5-7-11(12(18)15)14(21)17-13(7)20/h2-5H,15H2,1H3,(H2,16,22,23)(H,17,20,21)
InChIKeyXPIICFLKUTYZEN-UHFFFAOYSA-N
XLogP-1.04
TPSA163.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide
CID 169327804
4-amino-5-(3-ethynyl-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329261
4-amino-5-[3-(difluoromethoxy)-4-methoxyphenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330756
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)benzenesulfonamide
CID 169326806
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzoic acid
CID 169326983
4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327067
3-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-4-methoxybenzenesulfonic acid
CID 169331490
4-amino-5-[3-chloro-4-(4-methoxyphenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329813
N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 169329586
4-amino-5-(4-bromo-3-ethylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327552
4-amino-5-(2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326722
4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327356

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide (CID 169329629) is 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide is COc1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1S(N)(=O)=O.
What is the InChIKey of 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is XPIICFLKUTYZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O6S/c1-24-8-3-2-6(4-9(8)25(16,22)23)18-10(19)5-7-11(12(18)15)14(21)17-13(7)20/h2-5H,15H2,1H3,(H2,16,22,23)(H,17,20,21).
What are the key properties of 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide?
5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 364.34 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 169329629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).