2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C19H14FN3O5S — CID 20917809

IUPAC2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C19H14FN3O5S/c20-13-6-5-12(11-23-18(24)15-4-1-7-21-17(15)19(23)25)16(9-13)29(26,27)22-10-14-3-2-8-28-14/h1-9,22H,10-11H2
InChIKeyCIHQSWNNXNYMMK-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.09
Rot. Bonds6

About 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 20917809) has the molecular formula C19H14FN3O5S and a molecular weight of 415.40 g/mol. Its IUPAC name is 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID20917809
Molecular FormulaC19H14FN3O5S
Molecular Weight415.40 g/mol
Exact Mass415.06
IUPAC Name2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C19H14FN3O5S/c20-13-6-5-12(11-23-18(24)15-4-1-7-21-17(15)19(23)25)16(9-13)29(26,27)22-10-14-3-2-8-28-14/h1-9,22H,10-11H2
InChIKeyCIHQSWNNXNYMMK-UHFFFAOYSA-N
XLogP2.09
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide 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

(s)-1-(6-Fluoropyridin-3-yl-methyl)-5-(2-phenoxymethylpyrrolidine-1-sulfonyl)-1h-indole-2,3-dione
CID 11533326
7-[(3-Fluorophenyl)amino]-6-[(furan-2-YL)methyl]-5H,6H,7H-pyrrolo[3,4-B]pyridin-5-one
CID 16195342
5-({5,7-Dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)-N-[(furan-2-YL)methyl]thiophene-2-sulfonamide
CID 20917681
2-({5,7-Dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)-5-fluoro-N-[(5-methylfuran-2-YL)methyl]benzene-1-sulfonamide
CID 20917857
2-({5,7-Dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)-5-fluoro-N-[(furan-2-YL)methyl]-N-methylbenzene-1-sulfonamide
CID 20917879
5-({5,7-Dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)-2-methoxy-N-[(5-methylfuran-2-YL)methyl]benzene-1-sulfonamide
CID 20923178
5-({5,7-Dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzene-1-sulfonamide
CID 20970070
2-[7-(3,4-difluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 72696908
US10626112, Example 274
CID 122685823
N-(furan-2-ylmethyl)-2-(5-piperidin-1-ylsulfonylindol-1-yl)propanamide
CID 20919053
6-{[4-(3,4-Dihydro-2H-1,4-benzoxazine-4-sulfonyl)phenyl]methyl}-5H,6H,7H-pyrrolo[3,4-B]pyridine-5,7-dione
CID 20969986
4-({5,7-Dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)-N-[(5-methylfuran-2-YL)methyl]benzene-1-sulfonamide
CID 20914328

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 20917809) is 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is CIHQSWNNXNYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O5S/c20-13-6-5-12(11-23-18(24)15-4-1-7-21-17(15)19(23)25)16(9-13)29(26,27)22-10-14-3-2-8-28-14/h1-9,22H,10-11H2.
What are the key properties of 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 415.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-5-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 20917809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).