2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide

C26H24ClFN4O5S — CID 135197710

IUPAC2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C26H24ClFN4O5S/c1-15-20-9-16(11-23(25(20)31-14-30-15)37-19-5-7-36-8-6-19)17-10-22(26(35-2)29-13-17)32-38(33,34)24-4-3-18(28)12-21(24)27/h3-4,9-14,19,32H,5-8H2,1-2H3
InChIKeyIVVLJPSAYUZANZ-UHFFFAOYSA-N
MW559.02 g/mol
LogP5.16
Rot. Bonds7

About 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide

2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 135197710) has the molecular formula C26H24ClFN4O5S and a molecular weight of 559.02 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID135197710
Molecular FormulaC26H24ClFN4O5S
Molecular Weight559.02 g/mol
Exact Mass558.11
IUPAC Name2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C26H24ClFN4O5S/c1-15-20-9-16(11-23(25(20)31-14-30-15)37-19-5-7-36-8-6-19)17-10-22(26(35-2)29-13-17)32-38(33,34)24-4-3-18(28)12-21(24)27/h3-4,9-14,19,32H,5-8H2,1-2H3
InChIKeyIVVLJPSAYUZANZ-UHFFFAOYSA-N
XLogP5.16
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.02
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-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-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 135197710) is 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2cc(OC3CCOCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is IVVLJPSAYUZANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O5S/c1-15-20-9-16(11-23(25(20)31-14-30-15)37-19-5-7-36-8-6-19)17-10-22(26(35-2)29-13-17)32-38(33,34)24-4-3-18(28)12-21(24)27/h3-4,9-14,19,32H,5-8H2,1-2H3.
What are the key properties of 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide?
2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 559.02 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 135197710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).