2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide

C22H17ClF2N4O3S — CID 137351410

IUPAC2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide
SMILESCCc1cc(-c2cc(F)c(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12
InChIInChI=1S/C22H17ClF2N4O3S/c1-3-12-8-13(9-14-11-26-22(25)27-19(12)14)15-10-17(24)20(28-21(15)32-2)29-33(30,31)18-7-5-4-6-16(18)23/h4-11H,3H2,1-2H3,(H,28,29)
InChIKeyYRMUXVGCUJPJHX-UHFFFAOYSA-N
MW490.92 g/mol
LogP5.00
Rot. Bonds6

About 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide

2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide (PubChem CID 137351410) has the molecular formula C22H17ClF2N4O3S and a molecular weight of 490.92 g/mol. Its IUPAC name is 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide
PubChem CID137351410
Molecular FormulaC22H17ClF2N4O3S
Molecular Weight490.92 g/mol
Exact Mass490.07
IUPAC Name2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide
SMILESCCc1cc(-c2cc(F)c(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12
InChIInChI=1S/C22H17ClF2N4O3S/c1-3-12-8-13(9-14-11-26-22(25)27-19(12)14)15-10-17(24)20(28-21(15)32-2)29-33(30,31)18-7-5-4-6-16(18)23/h4-11H,3H2,1-2H3,(H,28,29)
InChIKeyYRMUXVGCUJPJHX-UHFFFAOYSA-N
XLogP5.00
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.92
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide 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 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide (CID 137351410) is 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide is CCc1cc(-c2cc(F)c(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.
What is the InChIKey of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide?
The InChIKey is YRMUXVGCUJPJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N4O3S/c1-3-12-8-13(9-14-11-26-22(25)27-19(12)14)15-10-17(24)20(28-21(15)32-2)29-33(30,31)18-7-5-4-6-16(18)23/h4-11H,3H2,1-2H3,(H,28,29).
What are the key properties of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide?
2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide has a molecular weight of 490.92 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-3-fluoro-6-methoxy-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 137351410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).