N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide

C58H40F8N4O7S2 — CID 159255988

IUPACN-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)c(F)c2)c2cccc(C(F)(F)F)c2n1.Cc1cc(Oc2ccc(NS(=O)(=O)c3cccc(Oc4ccccc4)c3)c(F)c2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C29H20F4N2O4S.C29H20F4N2O3S/c1-18-15-27(23-11-6-12-24(28(23)34-18)29(31,32)33)39-21-13-14-26(25(30)17-21)35-40(36,37)22-10-5-9-20(16-22)38-19-7-3-2-4-8-19;1-18-15-27(23-11-6-12-24(28(23)34-18)29(31,32)33)38-21-13-14-26(25(30)17-21)35-39(36,37)22-10-5-9-20(16-22)19-7-3-2-4-8-19/h2-17,35H,1H3;2-17,35H,1H3
InChIKeyKVXBKUJLLDQTKK-UHFFFAOYSA-N
MW1121.10 g/mol
LogP16.05
Rot. Bonds13

About N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide

N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide (PubChem CID 159255988) has the molecular formula C58H40F8N4O7S2 and a molecular weight of 1121.10 g/mol. Its IUPAC name is N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide
PubChem CID159255988
Molecular FormulaC58H40F8N4O7S2
Molecular Weight1121.10 g/mol
Exact Mass1120.22
IUPAC NameN-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide
SMILESCc1cc(Oc2ccc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)c(F)c2)c2cccc(C(F)(F)F)c2n1.Cc1cc(Oc2ccc(NS(=O)(=O)c3cccc(Oc4ccccc4)c3)c(F)c2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C29H20F4N2O4S.C29H20F4N2O3S/c1-18-15-27(23-11-6-12-24(28(23)34-18)29(31,32)33)39-21-13-14-26(25(30)17-21)35-40(36,37)22-10-5-9-20(16-22)38-19-7-3-2-4-8-19;1-18-15-27(23-11-6-12-24(28(23)34-18)29(31,32)33)38-21-13-14-26(25(30)17-21)35-39(36,37)22-10-5-9-20(16-22)19-7-3-2-4-8-19/h2-17,35H,1H3;2-17,35H,1H3
InChIKeyKVXBKUJLLDQTKK-UHFFFAOYSA-N
XLogP16.05
TPSA145.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.10
LogP ≤ 516.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide with MolForge

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Related Compounds

N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-4-phenylbenzenesulfonamide
CID 58229353
N-[2-fluoro-4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]thiophene-2-sulfonamide
CID 58229340
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
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
4-methyl-N-[2-(4-phenylphenoxy)-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 169370979
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-(4-fluorophenoxy)benzenesulfonamide;N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3-phenylbenzenesulfonamide
CID 161471859
N-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169373451
3-methyl-4-[3-(3-methylsulfonylphenoxy)phenyl]-8-(trifluoromethyl)quinoline
CID 25100150
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
3-methoxy-N-[4-[(3-methoxyphenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 122194678
N-[4-[8-(1,1-difluoroethyl)-2-methylquinolin-4-yl]oxy-3-fluorophenyl]-4-[(3,5-dimethyl-2,3-dihydro-1,2-oxazol-4-yl)methoxy]benzenesulfonamide
CID 162557618
3,5-dichloro-N-[4-[2-chloro-5-(trifluoromethyl)phenoxy]-2-fluorophenyl]-4-(2-methyl-4-nitrophenoxy)benzenesulfonamide
CID 147506160

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide?
The IUPAC name of N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide (CID 159255988) is N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide is Cc1cc(Oc2ccc(NS(=O)(=O)c3cccc(-c4ccccc4)c3)c(F)c2)c2cccc(C(F)(F)F)c2n1.Cc1cc(Oc2ccc(NS(=O)(=O)c3cccc(Oc4ccccc4)c3)c(F)c2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide?
The InChIKey is KVXBKUJLLDQTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F4N2O4S.C29H20F4N2O3S/c1-18-15-27(23-11-6-12-24(28(23)34-18)29(31,32)33)39-21-13-14-26(25(30)17-21)35-40(36,37)22-10-5-9-20(16-22)38-19-7-3-2-4-8-19;1-18-15-27(23-11-6-12-24(28(23)34-18)29(31,32)33)38-21-13-14-26(25(30)17-21)35-39(36,37)22-10-5-9-20(16-22)19-7-3-2-4-8-19/h2-17,35H,1H3;2-17,35H,1H3.
What are the key properties of N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide?
N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide has a molecular weight of 1121.10 g/mol, XLogP of 16.05, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenoxybenzenesulfonamide;N-[2-fluoro-4-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]-3-phenylbenzenesulfonamide is sourced from PubChem (CID 159255988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).