N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

C20H15ClFN5O3S — CID 156833297

IUPACN-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3nc(N)ncc3c2)c1F
InChIInChI=1S/C20H15ClFN5O3S/c1-30-19-17(8-13(21)10-24-19)31(28,29)27-16-4-2-3-14(18(16)22)11-5-6-15-12(7-11)9-25-20(23)26-15/h2-10,27H,1H3,(H2,23,25,26)
InChIKeyROUYRQNKWLBBPU-UHFFFAOYSA-N
MW459.89 g/mol
LogP3.88
Rot. Bonds5

About N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (PubChem CID 156833297) has the molecular formula C20H15ClFN5O3S and a molecular weight of 459.89 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
PubChem CID156833297
Molecular FormulaC20H15ClFN5O3S
Molecular Weight459.89 g/mol
Exact Mass459.06
IUPAC NameN-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3nc(N)ncc3c2)c1F
InChIInChI=1S/C20H15ClFN5O3S/c1-30-19-17(8-13(21)10-24-19)31(28,29)27-16-4-2-3-14(18(16)22)11-5-6-15-12(7-11)9-25-20(23)26-15/h2-10,27H,1H3,(H2,23,25,26)
InChIKeyROUYRQNKWLBBPU-UHFFFAOYSA-N
XLogP3.88
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.89
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
The IUPAC name of N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide (CID 156833297) is N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccc3nc(N)ncc3c2)c1F.
What is the InChIKey of N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
The InChIKey is ROUYRQNKWLBBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O3S/c1-30-19-17(8-13(21)10-24-19)31(28,29)27-16-4-2-3-14(18(16)22)11-5-6-15-12(7-11)9-25-20(23)26-15/h2-10,27H,1H3,(H2,23,25,26).
What are the key properties of N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide?
N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide has a molecular weight of 459.89 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-6-yl)-2-fluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 156833297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).