N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide

C16H10ClF3N2O2S — CID 1281736

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc2cccnc12
InChIInChI=1S/C16H10ClF3N2O2S/c17-13-7-6-11(9-12(13)16(18,19)20)22-25(23,24)14-5-1-3-10-4-2-8-21-15(10)14/h1-9,22H
InChIKeyJBTVRQWFVFTKKR-UHFFFAOYSA-N
MW386.78 g/mol
LogP4.71
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide (PubChem CID 1281736) has the molecular formula C16H10ClF3N2O2S and a molecular weight of 386.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide
PubChem CID1281736
Molecular FormulaC16H10ClF3N2O2S
Molecular Weight386.78 g/mol
Exact Mass386.01
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc2cccnc12
InChIInChI=1S/C16H10ClF3N2O2S/c17-13-7-6-11(9-12(13)16(18,19)20)22-25(23,24)14-5-1-3-10-4-2-8-21-15(10)14/h1-9,22H
InChIKeyJBTVRQWFVFTKKR-UHFFFAOYSA-N
XLogP4.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.78
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide (CID 1281736) is N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide is O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc2cccnc12.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is JBTVRQWFVFTKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2S/c17-13-7-6-11(9-12(13)16(18,19)20)22-25(23,24)14-5-1-3-10-4-2-8-21-15(10)14/h1-9,22H.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 386.78 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 1281736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).