4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide

C16H10ClF3N2O2S — CID 17467872

IUPAC4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF3N2O2S/c17-14-6-5-12(8-13(14)16(18,19)20)25(23,24)22-11-7-10-3-1-2-4-15(10)21-9-11/h1-9,22H
InChIKeyKKPPGVFFQBWYGN-UHFFFAOYSA-N
MW386.78 g/mol
LogP4.71
Rot. Bonds3

About 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 17467872) has the molecular formula C16H10ClF3N2O2S and a molecular weight of 386.78 g/mol. Its IUPAC name is 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID17467872
Molecular FormulaC16H10ClF3N2O2S
Molecular Weight386.78 g/mol
Exact Mass386.01
IUPAC Name4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H10ClF3N2O2S/c17-14-6-5-12(8-13(14)16(18,19)20)25(23,24)22-11-7-10-3-1-2-4-15(10)21-9-11/h1-9,22H
InChIKeyKKPPGVFFQBWYGN-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 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide (CID 17467872) is 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KKPPGVFFQBWYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2S/c17-14-6-5-12(8-13(14)16(18,19)20)25(23,24)22-11-7-10-3-1-2-4-15(10)21-9-11/h1-9,22H.
What are the key properties of 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide 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 4-chloro-N-quinolin-3-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 17467872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).