4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide

C25H19BrN4O3S — CID 23302369

IUPAC4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2oc3cc(NS(=O)(=O)c4cccc5cccnc45)ccc3c2Br)cc1
InChIInChI=1S/C25H19BrN4O3S/c26-23-19-11-10-18(30-34(31,32)22-5-1-3-16-4-2-12-29-24(16)22)14-20(19)33-21(23)13-15-6-8-17(9-7-15)25(27)28/h1-12,14,30H,13H2,(H3,27,28)
InChIKeyZVRZIAMJGFYSCP-UHFFFAOYSA-N
MW535.42 g/mol
LogP5.42
Rot. Bonds6

About 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide

4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide (PubChem CID 23302369) has the molecular formula C25H19BrN4O3S and a molecular weight of 535.42 g/mol. Its IUPAC name is 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide
PubChem CID23302369
Molecular FormulaC25H19BrN4O3S
Molecular Weight535.42 g/mol
Exact Mass534.04
IUPAC Name4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2oc3cc(NS(=O)(=O)c4cccc5cccnc45)ccc3c2Br)cc1
InChIInChI=1S/C25H19BrN4O3S/c26-23-19-11-10-18(30-34(31,32)22-5-1-3-16-4-2-12-29-24(16)22)14-20(19)33-21(23)13-15-6-8-17(9-7-15)25(27)28/h1-12,14,30H,13H2,(H3,27,28)
InChIKeyZVRZIAMJGFYSCP-UHFFFAOYSA-N
XLogP5.42
TPSA122.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.42
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide 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

4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-2-yl]methyl]benzenecarboximidamide;hydrochloride
CID 23302532
4-[2-[1-methyl-6-(quinolin-8-ylsulfonylamino)imidazo[4,5-b]pyridin-2-yl]ethyl]benzenecarboximidamide;hydrochloride
CID 23296474
[1-methyl-5-(quinolin-8-ylsulfonylamino)indol-3-yl] N-(4-carbamimidoylphenyl)carbamate;hydrochloride
CID 70065019
4-quinolin-8-ylsulfonylbenzenecarboximidamide
CID 57159416
ethyl 2-[2-[(4-carbamimidoylphenoxy)methyl]-5-(quinolin-8-ylsulfonylamino)benzimidazol-1-yl]acetate
CID 23296501
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
3-[(2S)-3-oxo-3-piperidin-1-yl-2-(quinolin-8-ylsulfonylamino)propyl]benzenecarboximidamide
CID 57303460
2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid;hydrochloride
CID 23302796
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
4-[[1-methyl-5-(pyridin-3-ylsulfonylamino)benzimidazol-2-yl]methyl]benzenecarboximidamide
CID 10873499
methyl 2-methyl-5-(quinolin-8-ylsulfonylamino)-1-benzofuran-3-carboxylate
CID 7339253
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762

Frequently Asked Questions

What is the IUPAC name of 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide (CID 23302369) is 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cc2oc3cc(NS(=O)(=O)c4cccc5cccnc45)ccc3c2Br)cc1.
What is the InChIKey of 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide?
The InChIKey is ZVRZIAMJGFYSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN4O3S/c26-23-19-11-10-18(30-34(31,32)22-5-1-3-16-4-2-12-29-24(16)22)14-20(19)33-21(23)13-15-6-8-17(9-7-15)25(27)28/h1-12,14,30H,13H2,(H3,27,28).
What are the key properties of 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide?
4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide has a molecular weight of 535.42 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-bromo-6-(quinolin-8-ylsulfonylamino)-1-benzofuran-2-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 23302369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).