2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride

C17H12ClF3N2O4S — CID 86687744

IUPAC2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride
SMILESCOc1nc(-c2ccc(C(F)(F)F)cc2OC)c2ccc(S(=O)(=O)Cl)cc2n1
InChIInChI=1S/C17H12ClF3N2O4S/c1-26-14-7-9(17(19,20)21)3-5-12(14)15-11-6-4-10(28(18,24)25)8-13(11)22-16(23-15)27-2/h3-8H,1-2H3
InChIKeyJNCYPIGJFQZXJM-UHFFFAOYSA-N
MW432.81 g/mol
LogP4.26
Rot. Bonds4

About 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride

2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride (PubChem CID 86687744) has the molecular formula C17H12ClF3N2O4S and a molecular weight of 432.81 g/mol. Its IUPAC name is 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride
PubChem CID86687744
Molecular FormulaC17H12ClF3N2O4S
Molecular Weight432.81 g/mol
Exact Mass432.02
IUPAC Name2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride
SMILESCOc1nc(-c2ccc(C(F)(F)F)cc2OC)c2ccc(S(=O)(=O)Cl)cc2n1
InChIInChI=1S/C17H12ClF3N2O4S/c1-26-14-7-9(17(19,20)21)3-5-12(14)15-11-6-4-10(28(18,24)25)8-13(11)22-16(23-15)27-2/h3-8H,1-2H3
InChIKeyJNCYPIGJFQZXJM-UHFFFAOYSA-N
XLogP4.26
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.81
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-bromo-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline
CID 86687452
2-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride
CID 53399143
7-(trifluoromethyl)naphthalene-2-sulfonyl chloride
CID 170898735
2-[[4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-7-yl]sulfonylmethyl]-1,3-thiazole;2-[7-(1,3-thiazol-2-ylmethylsulfonyl)quinazolin-4-yl]-5-(trifluoromethyl)phenol;tribromoborane
CID 158810539
N-(5-fluoropyrimidin-4-yl)-1-[2-methoxy-4-(trifluoromethyl)phenyl]isoquinoline-6-sulfonamide
CID 71585636
3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
4-cyano-1-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-ylisoquinoline-6-sulfonamide
CID 86687515
methyl 6-[2-methoxy-4-(trifluoromethyl)phenyl]-5-methylpyridazine-3-carboxylate
CID 178140786
N-[(4-methoxyphenyl)methyl]-1-[2-methoxy-4-(trifluoromethyl)phenyl]-4-oxo-N-(1,3-thiazol-2-yl)-3H-phthalazine-6-sulfonamide
CID 86687555
8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide
CID 86687550
4-methoxy-6-nitro-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 134680057
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride?
The IUPAC name of 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride (CID 86687744) is 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride.
What is the SMILES notation for 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride?
The canonical SMILES for 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride is COc1nc(-c2ccc(C(F)(F)F)cc2OC)c2ccc(S(=O)(=O)Cl)cc2n1.
What is the InChIKey of 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride?
The InChIKey is JNCYPIGJFQZXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O4S/c1-26-14-7-9(17(19,20)21)3-5-12(14)15-11-6-4-10(28(18,24)25)8-13(11)22-16(23-15)27-2/h3-8H,1-2H3.
What are the key properties of 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride?
2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride has a molecular weight of 432.81 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride is sourced from PubChem (CID 86687744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).