4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide

C18H14ClF3N2O2S — CID 16615092

IUPAC4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc2cccnc12)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H14ClF3N2O2S/c19-14-6-7-16(15(11-14)18(20,21)22)27(25,26)24-10-8-13-4-1-3-12-5-2-9-23-17(12)13/h1-7,9,11,24H,8,10H2
InChIKeyXPRUWCDZQUXYFE-UHFFFAOYSA-N
MW414.84 g/mol
LogP4.43
Rot. Bonds5

About 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 16615092) has the molecular formula C18H14ClF3N2O2S and a molecular weight of 414.84 g/mol. Its IUPAC name is 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID16615092
Molecular FormulaC18H14ClF3N2O2S
Molecular Weight414.84 g/mol
Exact Mass414.04
IUPAC Name4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc2cccnc12)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H14ClF3N2O2S/c19-14-6-7-16(15(11-14)18(20,21)22)27(25,26)24-10-8-13-4-1-3-12-5-2-9-23-17(12)13/h1-7,9,11,24H,8,10H2
InChIKeyXPRUWCDZQUXYFE-UHFFFAOYSA-N
XLogP4.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 16615092) is 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCc1cccc2cccnc12)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XPRUWCDZQUXYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2S/c19-14-6-7-16(15(11-14)18(20,21)22)27(25,26)24-10-8-13-4-1-3-12-5-2-9-23-17(12)13/h1-7,9,11,24H,8,10H2.
What are the key properties of 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 414.84 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-quinolin-8-ylethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 16615092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).