N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide

C20H12F6N4O2S — CID 5299496

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccc2cccnc12
InChIInChI=1S/C20H12F6N4O2S/c21-19(22,23)16-11-17(20(24,25)26)30(28-16)14-8-6-13(7-9-14)29-33(31,32)15-5-1-3-12-4-2-10-27-18(12)15/h1-11,29H
InChIKeyAOAKZCLAMDIYAV-UHFFFAOYSA-N
MW486.40 g/mol
LogP5.26
Rot. Bonds4

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide (PubChem CID 5299496) has the molecular formula C20H12F6N4O2S and a molecular weight of 486.40 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide
PubChem CID5299496
Molecular FormulaC20H12F6N4O2S
Molecular Weight486.40 g/mol
Exact Mass486.06
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccc2cccnc12
InChIInChI=1S/C20H12F6N4O2S/c21-19(22,23)16-11-17(20(24,25)26)30(28-16)14-8-6-13(7-9-14)29-33(31,32)15-5-1-3-12-4-2-10-27-18(12)15/h1-11,29H
InChIKeyAOAKZCLAMDIYAV-UHFFFAOYSA-N
XLogP5.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.40
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 4259954
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]quinoline-8-sulfonamide
CID 3866993
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
CID 95781119
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide
CID 22203469
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
(E)-N-hydroxy-3-[4-(quinolin-8-ylsulfonylamino)phenyl]prop-2-enamide
CID 11003161
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]quinoline-8-sulfonamide
CID 19684514
N-[4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]quinoline-8-sulfonamide
CID 123344778
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 44589011

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide (CID 5299496) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide is O=S(=O)(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide?
The InChIKey is AOAKZCLAMDIYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4O2S/c21-19(22,23)16-11-17(20(24,25)26)30(28-16)14-8-6-13(7-9-14)29-33(31,32)15-5-1-3-12-4-2-10-27-18(12)15/h1-11,29H.
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide has a molecular weight of 486.40 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 5299496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).