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

C15H14N4O6S — CID 169327804

IUPACN-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H14N4O6S/c1-25-10-5-7(3-4-9(10)18-26(2,23)24)19-11(20)6-8-12(13(19)16)15(22)17-14(8)21/h3-6,18H,16H2,1-2H3,(H,17,21,22)
InChIKeyYASZGKDPRKBALU-UHFFFAOYSA-N
MW378.37 g/mol
LogP-0.32
Rot. Bonds4

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

N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide (PubChem CID 169327804) has the molecular formula C15H14N4O6S and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide
PubChem CID169327804
Molecular FormulaC15H14N4O6S
Molecular Weight378.37 g/mol
Exact Mass378.06
IUPAC NameN-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide
SMILESCOc1cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)ccc1NS(C)(=O)=O
InChIInChI=1S/C15H14N4O6S/c1-25-10-5-7(3-4-9(10)18-26(2,23)24)19-11(20)6-8-12(13(19)16)15(22)17-14(8)21/h3-6,18H,16H2,1-2H3,(H,17,21,22)
InChIKeyYASZGKDPRKBALU-UHFFFAOYSA-N
XLogP-0.32
TPSA149.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 169329586
5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzenesulfonamide
CID 169329629
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxybenzoic acid
CID 169326983
4-amino-5-(3-ethynyl-4-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329261
4-amino-5-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327067
4-amino-5-(2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326722
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
4-amino-5-(2,3-dimethylquinoxalin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330627
4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327356
4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
CID 169331614
4-amino-5-(4-methoxy-3,5-dinitrophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169331377

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide?
The IUPAC name of N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide (CID 169327804) is N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide?
The canonical SMILES for N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide is COc1cc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide?
The InChIKey is YASZGKDPRKBALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O6S/c1-25-10-5-7(3-4-9(10)18-26(2,23)24)19-11(20)6-8-12(13(19)16)15(22)17-14(8)21/h3-6,18H,16H2,1-2H3,(H,17,21,22).
What are the key properties of N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide?
N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide has a molecular weight of 378.37 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methoxyphenyl]methanesulfonamide is sourced from PubChem (CID 169327804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).