4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide

C15H14BrFN2O3S2 — CID 86783705

IUPAC4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)N1CCCc2cc(Br)cc(F)c21
InChIInChI=1S/C15H14BrFN2O3S2/c1-8-13(7-12(23-8)15(18)20)24(21,22)19-4-2-3-9-5-10(16)6-11(17)14(9)19/h5-7H,2-4H2,1H3,(H2,18,20)
InChIKeyRTLPXXVZULMZAD-UHFFFAOYSA-N
MW433.32 g/mol
LogP3.20
Rot. Bonds3

About 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide

4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide (PubChem CID 86783705) has the molecular formula C15H14BrFN2O3S2 and a molecular weight of 433.32 g/mol. Its IUPAC name is 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide
PubChem CID86783705
Molecular FormulaC15H14BrFN2O3S2
Molecular Weight433.32 g/mol
Exact Mass431.96
IUPAC Name4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(N)=O)cc1S(=O)(=O)N1CCCc2cc(Br)cc(F)c21
InChIInChI=1S/C15H14BrFN2O3S2/c1-8-13(7-12(23-8)15(18)20)24(21,22)19-4-2-3-9-5-10(16)6-11(17)14(9)19/h5-7H,2-4H2,1H3,(H2,18,20)
InChIKeyRTLPXXVZULMZAD-UHFFFAOYSA-N
XLogP3.20
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide (CID 86783705) is 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(N)=O)cc1S(=O)(=O)N1CCCc2cc(Br)cc(F)c21.
What is the InChIKey of 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide?
The InChIKey is RTLPXXVZULMZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3S2/c1-8-13(7-12(23-8)15(18)20)24(21,22)19-4-2-3-9-5-10(16)6-11(17)14(9)19/h5-7H,2-4H2,1H3,(H2,18,20).
What are the key properties of 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide?
4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide has a molecular weight of 433.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 86783705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).