N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide

C16H11F3N2O3S — CID 4259954

IUPACN-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc2cccnc12
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)24-13-8-6-12(7-9-13)21-25(22,23)14-5-1-3-11-4-2-10-20-15(11)14/h1-10,21H
InChIKeyZGQQKHYTBYDPRV-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.93
Rot. Bonds4

About N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide

N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide (PubChem CID 4259954) has the molecular formula C16H11F3N2O3S and a molecular weight of 368.34 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
PubChem CID4259954
Molecular FormulaC16H11F3N2O3S
Molecular Weight368.34 g/mol
Exact Mass368.04
IUPAC NameN-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc2cccnc12
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)24-13-8-6-12(7-9-13)21-25(22,23)14-5-1-3-11-4-2-10-20-15(11)14/h1-10,21H
InChIKeyZGQQKHYTBYDPRV-UHFFFAOYSA-N
XLogP3.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(4-formylphenyl)quinoline-8-sulfonamide
CID 121290762
[4-(quinolin-8-ylsulfonylamino)phenyl] propanoate
CID 59635021
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-[4-[(R)-methylsulfinyl]phenyl]quinoline-8-sulfonamide
CID 95781119
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]quinoline-8-sulfonamide
CID 5299496
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635215
N-ethyl-N-[3-hydroxy-3-[3-(trifluoromethoxy)phenyl]butyl]-4-(quinolin-8-ylsulfonylamino)benzamide
CID 123652352
N-[4-(cyanomethyl)phenyl]quinoline-8-sulfonamide
CID 74225429
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide
CID 22203469
N-[2-[N-ethyl-2-(trifluoromethoxy)anilino]ethyl]-N-methyl-4-(quinolin-8-ylsulfonylamino)benzamide
CID 170396328
N-methyl-N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 22775261

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide (CID 4259954) is N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc2cccnc12.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide?
The InChIKey is ZGQQKHYTBYDPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S/c17-16(18,19)24-13-8-6-12(7-9-13)21-25(22,23)14-5-1-3-11-4-2-10-20-15(11)14/h1-10,21H.
What are the key properties of N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide?
N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide has a molecular weight of 368.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 4259954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).