8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide

C16H10F4N2O2S — CID 39824401

IUPAC8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(F)c2ncccc12
InChIInChI=1S/C16H10F4N2O2S/c17-13-6-7-14(12-5-2-8-21-15(12)13)25(23,24)22-11-4-1-3-10(9-11)16(18,19)20/h1-9,22H
InChIKeyKXHCRNOGEWEWRX-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.19
Rot. Bonds3

About 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide

8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide (PubChem CID 39824401) has the molecular formula C16H10F4N2O2S and a molecular weight of 370.33 g/mol. Its IUPAC name is 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide
PubChem CID39824401
Molecular FormulaC16H10F4N2O2S
Molecular Weight370.33 g/mol
Exact Mass370.04
IUPAC Name8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(F)c2ncccc12
InChIInChI=1S/C16H10F4N2O2S/c17-13-6-7-14(12-5-2-8-21-15(12)13)25(23,24)22-11-4-1-3-10(9-11)16(18,19)20/h1-9,22H
InChIKeyKXHCRNOGEWEWRX-UHFFFAOYSA-N
XLogP4.19
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 39824436
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
8-fluoro-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 31914288
8-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]quinoline-5-sulfonamide
CID 166184474
8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide
CID 5186150
8-fluoro-N-(2-methoxy-4-methylphenyl)quinoline-5-sulfonamide
CID 60534314
5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 55676538
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 169307902
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
8-fluoro-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]quinoline-5-sulfonamide
CID 95168496

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide?
The IUPAC name of 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide (CID 39824401) is 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(F)c2ncccc12.
What is the InChIKey of 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide?
The InChIKey is KXHCRNOGEWEWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O2S/c17-13-6-7-14(12-5-2-8-21-15(12)13)25(23,24)22-11-4-1-3-10(9-11)16(18,19)20/h1-9,22H.
What are the key properties of 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide?
8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide has a molecular weight of 370.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[3-(trifluoromethyl)phenyl]quinoline-5-sulfonamide is sourced from PubChem (CID 39824401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).