N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide

C51H39F5N4O11S3 — CID 159317839

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cc2nccc(Oc3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)s4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)c(F)c3)c2cc1OC
InChIInChI=1S/C27H21FN2O5S2.C24H18F4N2O6S/c1-33-24-15-19-22(16-25(24)34-2)29-13-12-23(19)35-18-8-9-21(20(28)14-18)30-37(31,32)27-11-10-26(36-27)17-6-4-3-5-7-17;1-33-22-12-17-20(13-23(22)34-2)29-9-8-21(17)35-14-6-7-19(18(25)11-14)30-37(31,32)16-5-3-4-15(10-16)36-24(26,27)28/h3-16,30H,1-2H3;3-13,30H,1-2H3
InChIKeyLDJIAQHPTDCDLI-UHFFFAOYSA-N
MW1075.08 g/mol
LogP12.60
Rot. Bonds16

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 159317839) has the molecular formula C51H39F5N4O11S3 and a molecular weight of 1075.08 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID159317839
Molecular FormulaC51H39F5N4O11S3
Molecular Weight1075.08 g/mol
Exact Mass1074.17
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cc2nccc(Oc3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)s4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)c(F)c3)c2cc1OC
InChIInChI=1S/C27H21FN2O5S2.C24H18F4N2O6S/c1-33-24-15-19-22(16-25(24)34-2)29-13-12-23(19)35-18-8-9-21(20(28)14-18)30-37(31,32)27-11-10-26(36-27)17-6-4-3-5-7-17;1-33-22-12-17-20(13-23(22)34-2)29-9-8-21(17)35-14-6-7-19(18(25)11-14)30-37(31,32)16-5-3-4-15(10-16)36-24(26,27)28/h3-16,30H,1-2H3;3-13,30H,1-2H3
InChIKeyLDJIAQHPTDCDLI-UHFFFAOYSA-N
XLogP12.60
TPSA182.73 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001075.08
LogP ≤ 512.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 159317839) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide is COc1cc2nccc(Oc3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)s4)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)c(F)c3)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is LDJIAQHPTDCDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O5S2.C24H18F4N2O6S/c1-33-24-15-19-22(16-25(24)34-2)29-13-12-23(19)35-18-8-9-21(20(28)14-18)30-37(31,32)27-11-10-26(36-27)17-6-4-3-5-7-17;1-33-22-12-17-20(13-23(22)34-2)29-9-8-21(17)35-14-6-7-19(18(25)11-14)30-37(31,32)16-5-3-4-15(10-16)36-24(26,27)28/h3-16,30H,1-2H3;3-13,30H,1-2H3.
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 1075.08 g/mol, XLogP of 12.60, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 159317839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).