3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide

C23H17Cl2FN6O3S — CID 90857407

IUPAC3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(Cl)c(Nc3nc4ccc(F)cc4c4c(=O)[nH]ccc34)c(Cl)c2)[nH]1
InChIInChI=1S/C23H17Cl2FN6O3S/c1-11-9-28-19(30-11)10-29-36(34,35)13-7-16(24)21(17(25)8-13)32-22-14-4-5-27-23(33)20(14)15-6-12(26)2-3-18(15)31-22/h2-9,29H,10H2,1H3,(H,27,33)(H,28,30)(H,31,32)
InChIKeyBKMVOIHPDZKNOY-UHFFFAOYSA-N
MW547.40 g/mol
LogP4.78
Rot. Bonds6

About 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide

3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 90857407) has the molecular formula C23H17Cl2FN6O3S and a molecular weight of 547.40 g/mol. Its IUPAC name is 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide
PubChem CID90857407
Molecular FormulaC23H17Cl2FN6O3S
Molecular Weight547.40 g/mol
Exact Mass546.04
IUPAC Name3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(Cl)c(Nc3nc4ccc(F)cc4c4c(=O)[nH]ccc34)c(Cl)c2)[nH]1
InChIInChI=1S/C23H17Cl2FN6O3S/c1-11-9-28-19(30-11)10-29-36(34,35)13-7-16(24)21(17(25)8-13)32-22-14-4-5-27-23(33)20(14)15-6-12(26)2-3-18(15)31-22/h2-9,29H,10H2,1H3,(H,27,33)(H,28,30)(H,31,32)
InChIKeyBKMVOIHPDZKNOY-UHFFFAOYSA-N
XLogP4.78
TPSA132.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.40
LogP ≤ 54.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]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

3,5-dichloro-4-[(10-oxo-9H-pyrido[4,3-c][1,6]naphthyridin-6-yl)amino]benzenesulfonamide
CID 59436066
8-[(4-chlorophenyl)sulfonylamino]-5-fluoro-N-[2-(1-methylimidazol-4-yl)ethyl]quinoline-2-carboxamide
CID 25059318
3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]benzenesulfonamide
CID 25225060
3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-(2-methylpropyl)benzenesulfonamide
CID 25226030
3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25226200
3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 25226201
3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 59436016
3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 68668241
2-[2,6-dichloro-4-(2-methylpropylsulfamoyl)anilino]-6-fluoro-N-[(Z)-prop-1-enyl]quinoline-4-carboxamide
CID 70863932
N-(3-chloro-4-methyl-1H-indol-7-yl)-2-fluoro-3-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzenesulfonamide
CID 164877530
N-(3-chloro-4-methyl-1H-indol-7-yl)-2-fluoro-4-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)benzenesulfonamide
CID 164877629
N-benzyl-N-(2-chlorophenyl)-3-[4-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]benzenesulfonamide
CID 166346066

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide (CID 90857407) is 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2cc(Cl)c(Nc3nc4ccc(F)cc4c4c(=O)[nH]ccc34)c(Cl)c2)[nH]1.
What is the InChIKey of 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is BKMVOIHPDZKNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2FN6O3S/c1-11-9-28-19(30-11)10-29-36(34,35)13-7-16(24)21(17(25)8-13)32-22-14-4-5-27-23(33)20(14)15-6-12(26)2-3-18(15)31-22/h2-9,29H,10H2,1H3,(H,27,33)(H,28,30)(H,31,32).
What are the key properties of 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide?
3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 547.40 g/mol, XLogP of 4.78, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(9-fluoro-1-oxo-2H-benzo[c][2,6]naphthyridin-5-yl)amino]-N-[(5-methyl-1H-imidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90857407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).