N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

C24H16F6N2O3S — CID 14548118

IUPACN-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccc3ccccc3n2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H16F6N2O3S/c25-23(26,27)16-10-17(24(28,29)30)12-21(11-16)36(33,34)32-18-5-3-6-20(13-18)35-14-19-9-8-15-4-1-2-7-22(15)31-19/h1-13,32H,14H2
InChIKeyLMPWHRFTUYENGE-UHFFFAOYSA-N
MW526.46 g/mol
LogP6.65
Rot. Bonds6

About N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide

N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 14548118) has the molecular formula C24H16F6N2O3S and a molecular weight of 526.46 g/mol. Its IUPAC name is N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID14548118
Molecular FormulaC24H16F6N2O3S
Molecular Weight526.46 g/mol
Exact Mass526.08
IUPAC NameN-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCc2ccc3ccccc3n2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H16F6N2O3S/c25-23(26,27)16-10-17(24(28,29)30)12-21(11-16)36(33,34)32-18-5-3-6-20(13-18)35-14-19-9-8-15-4-1-2-7-22(15)31-19/h1-13,32H,14H2
InChIKeyLMPWHRFTUYENGE-UHFFFAOYSA-N
XLogP6.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.46
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 14548118) is N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(OCc2ccc3ccccc3n2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is LMPWHRFTUYENGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O3S/c25-23(26,27)16-10-17(24(28,29)30)12-21(11-16)36(33,34)32-18-5-3-6-20(13-18)35-14-19-9-8-15-4-1-2-7-22(15)31-19/h1-13,32H,14H2.
What are the key properties of N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 526.46 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(quinolin-2-ylmethoxy)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14548118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).