N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide

C24H23FN4O3S — CID 91243563

IUPACN-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide
SMILESCNc1ncnc2ccc(-c3ccc(F)c(CNS(=O)(=O)c4ccc(COC)cc4)c3)cc12
InChIInChI=1S/C24H23FN4O3S/c1-26-24-21-12-18(6-10-23(21)27-15-28-24)17-5-9-22(25)19(11-17)13-29-33(30,31)20-7-3-16(4-8-20)14-32-2/h3-12,15,29H,13-14H2,1-2H3,(H,26,27,28)
InChIKeyXQOZBAZOSBGWAV-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.10
Rot. Bonds8

About N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide

N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide (PubChem CID 91243563) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide
PubChem CID91243563
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC NameN-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide
SMILESCNc1ncnc2ccc(-c3ccc(F)c(CNS(=O)(=O)c4ccc(COC)cc4)c3)cc12
InChIInChI=1S/C24H23FN4O3S/c1-26-24-21-12-18(6-10-23(21)27-15-28-24)17-5-9-22(25)19(11-17)13-29-33(30,31)20-7-3-16(4-8-20)14-32-2/h3-12,15,29H,13-14H2,1-2H3,(H,26,27,28)
InChIKeyXQOZBAZOSBGWAV-UHFFFAOYSA-N
XLogP4.10
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 71663310
N-[3-[4-[(2-methoxyphenyl)methylamino]quinazolin-6-yl]phenyl]methanesulfonamide
CID 3232763
N-[5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 145969434
6-(4-morpholin-4-ylsulfonylphenyl)-N-phenylquinazolin-4-amine
CID 71662761
N-(4-methylphenyl)-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 71662762
N-[5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 145968600
N-[5-[4-[3-(dimethylamino)propylamino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 145970875
US11912668, Example 91
CID 163369397
6-[(Benzyloxy)methyl]-5-(4-{[3-fluoro-4-(methylsulfonyl)benzyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11352689
N-[[5-[4-(tert-butylamino)quinazolin-6-yl]-2-fluorophenyl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 57434929
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]phenyl]methyl]-2,5-bis(trifluoromethoxymethyl)benzenesulfonamide
CID 57715500
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]-2,5-bis(trifluoromethoxymethyl)benzenesulfonamide
CID 57717387

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide?
The IUPAC name of N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide (CID 91243563) is N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide is CNc1ncnc2ccc(-c3ccc(F)c(CNS(=O)(=O)c4ccc(COC)cc4)c3)cc12.
What is the InChIKey of N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide?
The InChIKey is XQOZBAZOSBGWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c1-26-24-21-12-18(6-10-23(21)27-15-28-24)17-5-9-22(25)19(11-17)13-29-33(30,31)20-7-3-16(4-8-20)14-32-2/h3-12,15,29H,13-14H2,1-2H3,(H,26,27,28).
What are the key properties of N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide?
N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide has a molecular weight of 466.54 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-[4-(methylamino)quinazolin-6-yl]phenyl]methyl]-4-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 91243563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).