N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide

C12H11F3N2O3S — CID 174531377

IUPACN,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C12H11F3N2O3S/c1-17(2)21(19,20)10-6-16-9-5-7(12(13,14)15)3-4-8(9)11(10)18/h3-6H,1-2H3,(H,16,18)
InChIKeyMZZDXEVRKYIMHW-UHFFFAOYSA-N
MW320.29 g/mol
LogP1.80
Rot. Bonds2

About N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide

N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide (PubChem CID 174531377) has the molecular formula C12H11F3N2O3S and a molecular weight of 320.29 g/mol. Its IUPAC name is N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide
PubChem CID174531377
Molecular FormulaC12H11F3N2O3S
Molecular Weight320.29 g/mol
Exact Mass320.04
IUPAC NameN,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C12H11F3N2O3S/c1-17(2)21(19,20)10-6-16-9-5-7(12(13,14)15)3-4-8(9)11(10)18/h3-6H,1-2H3,(H,16,18)
InChIKeyMZZDXEVRKYIMHW-UHFFFAOYSA-N
XLogP1.80
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide?
The IUPAC name of N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide (CID 174531377) is N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide is CN(C)S(=O)(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O.
What is the InChIKey of N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide?
The InChIKey is MZZDXEVRKYIMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3S/c1-17(2)21(19,20)10-6-16-9-5-7(12(13,14)15)3-4-8(9)11(10)18/h3-6H,1-2H3,(H,16,18).
What are the key properties of N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide?
N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide has a molecular weight of 320.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-oxo-7-(trifluoromethyl)-1H-quinoline-3-sulfonamide is sourced from PubChem (CID 174531377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).