N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C19H14ClF3N2O4S — CID 166333578

IUPACN-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OCC(F)(F)F)cc1)NS(=O)(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C19H14ClF3N2O4S/c20-14-9-13-2-1-7-24-18(13)16(10-14)30(27,28)25-17(26)8-12-3-5-15(6-4-12)29-11-19(21,22)23/h1-7,9-10H,8,11H2,(H,25,26)
InChIKeyJUNBYKXUORUUNP-UHFFFAOYSA-N
MW458.85 g/mol
LogP3.88
Rot. Bonds6

About N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 166333578) has the molecular formula C19H14ClF3N2O4S and a molecular weight of 458.85 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID166333578
Molecular FormulaC19H14ClF3N2O4S
Molecular Weight458.85 g/mol
Exact Mass458.03
IUPAC NameN-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OCC(F)(F)F)cc1)NS(=O)(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C19H14ClF3N2O4S/c20-14-9-13-2-1-7-24-18(13)16(10-14)30(27,28)25-17(26)8-12-3-5-15(6-4-12)29-11-19(21,22)23/h1-7,9-10H,8,11H2,(H,25,26)
InChIKeyJUNBYKXUORUUNP-UHFFFAOYSA-N
XLogP3.88
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.85
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 166333578) is N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(Cc1ccc(OCC(F)(F)F)cc1)NS(=O)(=O)c1cc(Cl)cc2cccnc12.
What is the InChIKey of N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is JUNBYKXUORUUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O4S/c20-14-9-13-2-1-7-24-18(13)16(10-14)30(27,28)25-17(26)8-12-3-5-15(6-4-12)29-11-19(21,22)23/h1-7,9-10H,8,11H2,(H,25,26).
What are the key properties of N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 458.85 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)sulfonyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 166333578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).