6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

C16H15F2NO3S — CID 110636585

IUPAC6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)c3cc(F)ccc32)ccc1F
InChIInChI=1S/C16H15F2NO3S/c1-10-8-12(3-4-14(10)18)23(21,22)19-7-6-16(20)13-9-11(17)2-5-15(13)19/h2-5,8-9,16,20H,6-7H2,1H3
InChIKeyAADKKIIGJILHEI-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.91
Rot. Bonds2

About 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol

6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636585) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636585
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1cc(S(=O)(=O)N2CCC(O)c3cc(F)ccc32)ccc1F
InChIInChI=1S/C16H15F2NO3S/c1-10-8-12(3-4-14(10)18)23(21,22)19-7-6-16(20)13-9-11(17)2-5-15(13)19/h2-5,8-9,16,20H,6-7H2,1H3
InChIKeyAADKKIIGJILHEI-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636596
6-fluoro-1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636597
6-chloro-1-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636425
1-(benzenesulfonyl)-6-chloro-3,4-dihydro-2H-quinolin-4-ol
CID 110636408
6-fluoro-4-(4-fluoro-3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639369
5-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1,3-dihydroindol-2-one
CID 110636453
6-[(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3-methyl-1,3-benzoxazol-2-one
CID 110636448
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
1-(4-cyclopentyloxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110636294
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
1-(4-fluoro-3-methylphenyl)sulfonyl-6-methyl-2,3-dihydroquinolin-4-one
CID 110406435
5-fluoro-2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088184

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol (CID 110636585) is 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is Cc1cc(S(=O)(=O)N2CCC(O)c3cc(F)ccc32)ccc1F.
What is the InChIKey of 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is AADKKIIGJILHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-10-8-12(3-4-14(10)18)23(21,22)19-7-6-16(20)13-9-11(17)2-5-15(13)19/h2-5,8-9,16,20H,6-7H2,1H3.
What are the key properties of 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol?
6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 339.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-fluoro-3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).