2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol

C16H15F2NO3S — CID 71886440

IUPAC2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol
SMILESCc1ccc(O)c(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)c1
InChIInChI=1S/C16H15F2NO3S/c1-10-4-5-15(20)16(7-10)23(21,22)19-6-2-3-11-8-12(17)13(18)9-14(11)19/h4-5,7-9,20H,2-3,6H2,1H3
InChIKeySBKRTKMYXOHMBJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.12
Rot. Bonds2

About 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol

2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol (PubChem CID 71886440) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol
PubChem CID71886440
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol
SMILESCc1ccc(O)c(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)c1
InChIInChI=1S/C16H15F2NO3S/c1-10-4-5-15(20)16(7-10)23(21,22)19-6-2-3-11-8-12(17)13(18)9-14(11)19/h4-5,7-9,20H,2-3,6H2,1H3
InChIKeySBKRTKMYXOHMBJ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol?
The IUPAC name of 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol (CID 71886440) is 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol.
What is the SMILES notation for 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol?
The canonical SMILES for 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol is Cc1ccc(O)c(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)c1.
What is the InChIKey of 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol?
The InChIKey is SBKRTKMYXOHMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c1-10-4-5-15(20)16(7-10)23(21,22)19-6-2-3-11-8-12(17)13(18)9-14(11)19/h4-5,7-9,20H,2-3,6H2,1H3.
What are the key properties of 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol?
2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol has a molecular weight of 339.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylphenol is sourced from PubChem (CID 71886440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).