1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline

C16H15BrFNO2S — CID 2931154

IUPAC1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrFNO2S/c1-11-2-3-12-10-14(18)6-9-16(12)19(11)22(20,21)15-7-4-13(17)5-8-15/h4-11H,2-3H2,1H3
InChIKeyKYVHBSOXJKFILY-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.12
Rot. Bonds2

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

1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 2931154) has the molecular formula C16H15BrFNO2S and a molecular weight of 384.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID2931154
Molecular FormulaC16H15BrFNO2S
Molecular Weight384.27 g/mol
Exact Mass383.00
IUPAC Name1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrFNO2S/c1-11-2-3-12-10-14(18)6-9-16(12)19(11)22(20,21)15-7-4-13(17)5-8-15/h4-11H,2-3H2,1H3
InChIKeyKYVHBSOXJKFILY-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline (CID 2931154) is 1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is KYVHBSOXJKFILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2S/c1-11-2-3-12-10-14(18)6-9-16(12)19(11)22(20,21)15-7-4-13(17)5-8-15/h4-11H,2-3H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline?
1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 384.27 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 2931154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).