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

C22H18ClFN4O3S — CID 137351965

IUPAC2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide
SMILESCCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12
InChIInChI=1S/C22H18ClFN4O3S/c1-3-13-10-14(11-15-12-25-22(24)27-20(13)15)16-8-9-19(26-21(16)31-2)28-32(29,30)18-7-5-4-6-17(18)23/h4-12H,3H2,1-2H3,(H,26,28)
InChIKeySWLSYTWMGMYSLM-UHFFFAOYSA-N
MW472.93 g/mol
LogP4.86
Rot. Bonds6

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

2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide (PubChem CID 137351965) has the molecular formula C22H18ClFN4O3S and a molecular weight of 472.93 g/mol. Its IUPAC name is 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide
PubChem CID137351965
Molecular FormulaC22H18ClFN4O3S
Molecular Weight472.93 g/mol
Exact Mass472.08
IUPAC Name2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide
SMILESCCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12
InChIInChI=1S/C22H18ClFN4O3S/c1-3-13-10-14(11-15-12-25-22(24)27-20(13)15)16-8-9-19(26-21(16)31-2)28-32(29,30)18-7-5-4-6-17(18)23/h4-12H,3H2,1-2H3,(H,26,28)
InChIKeySWLSYTWMGMYSLM-UHFFFAOYSA-N
XLogP4.86
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.93
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2,4-difluoro-N-[2-methoxy-5-(8-methoxy-4-methylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 135197572
N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2-chloro-4-fluorobenzenesulfonamide
CID 135197583
N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 135197644
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178110
N-[5-(2-amino-4-pyridin-4-ylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178113
N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155528302
2,4-difluoro-N-[2-methoxy-5-[4-(4-morpholinyl)-6-quinazolinyl]-3-pyridinyl]Benzenesulfonamide
CID 57545876
N-[5-(2-amino-3-phenyl-6-quinolyl)-2-methoxy-3-pyridyl]-2,4-difluoro-benzenesulfonamide
CID 66800530
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-piperidin-1-ylsulfonylphenyl)quinazolin-4-amine
CID 71662244
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-piperidin-1-ylsulfonylphenyl)quinazolin-4-amine
CID 71662245
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-amine
CID 71662407
N-[5-(4-chloroquinolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 74539744

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide (CID 137351965) is 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide is CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2OC)cc2cnc(F)nc12.
What is the InChIKey of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide?
The InChIKey is SWLSYTWMGMYSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O3S/c1-3-13-10-14(11-15-12-25-22(24)27-20(13)15)16-8-9-19(26-21(16)31-2)28-32(29,30)18-7-5-4-6-17(18)23/h4-12H,3H2,1-2H3,(H,26,28).
What are the key properties of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide?
2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methoxy-2-pyridinyl]benzenesulfonamide has a molecular weight of 472.93 g/mol, XLogP of 4.86, 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)-6-methoxy-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 137351965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).