1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline

C14H13BrFNO2S2 — CID 19682834

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrFNO2S2/c1-9-2-3-10-8-11(16)4-5-12(10)17(9)21(18,19)14-7-6-13(15)20-14/h4-9H,2-3H2,1H3
InChIKeyNUSIFZJOSJKKMO-UHFFFAOYSA-N
MW390.30 g/mol
LogP4.18
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline

1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 19682834) has the molecular formula C14H13BrFNO2S2 and a molecular weight of 390.30 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID19682834
Molecular FormulaC14H13BrFNO2S2
Molecular Weight390.30 g/mol
Exact Mass388.96
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H13BrFNO2S2/c1-9-2-3-10-8-11(16)4-5-12(10)17(9)21(18,19)14-7-6-13(15)20-14/h4-9H,2-3H2,1H3
InChIKeyNUSIFZJOSJKKMO-UHFFFAOYSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline (CID 19682834) is 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is NUSIFZJOSJKKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S2/c1-9-2-3-10-8-11(16)4-5-12(10)17(9)21(18,19)14-7-6-13(15)20-14/h4-9H,2-3H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 390.30 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 19682834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).