N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide

C22H15F3N2O3S — CID 14127645

IUPACN-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc3cccnc3c2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15F3N2O3S/c23-22(24,25)16-4-1-5-20(13-16)31(28,29)27-17-7-10-18(11-8-17)30-19-9-6-15-3-2-12-26-21(15)14-19/h1-14,27H
InChIKeyNFBYPKRIQGDXSP-UHFFFAOYSA-N
MW444.43 g/mol
LogP5.85
Rot. Bonds5

About N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14127645) has the molecular formula C22H15F3N2O3S and a molecular weight of 444.43 g/mol. Its IUPAC name is N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14127645
Molecular FormulaC22H15F3N2O3S
Molecular Weight444.43 g/mol
Exact Mass444.08
IUPAC NameN-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc3cccnc3c2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15F3N2O3S/c23-22(24,25)16-4-1-5-20(13-16)31(28,29)27-17-7-10-18(11-8-17)30-19-9-6-15-3-2-12-26-21(15)14-19/h1-14,27H
InChIKeyNFBYPKRIQGDXSP-UHFFFAOYSA-N
XLogP5.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.43
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2194167
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122307777
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087
N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2824424
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N-methyl-4-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenoxy]pyridine-2-carboxamide
CID 70682282
N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3851411
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[(4-methoxyphenyl)methyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 17474210
3-(trifluoromethyl)-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305886
3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 47088040

Frequently Asked Questions

What is the IUPAC name of N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 14127645) is N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc3cccnc3c2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NFBYPKRIQGDXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O3S/c23-22(24,25)16-4-1-5-20(13-16)31(28,29)27-17-7-10-18(11-8-17)30-19-9-6-15-3-2-12-26-21(15)14-19/h1-14,27H.
What are the key properties of N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 444.43 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-quinolin-7-yloxyphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14127645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).