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

C15H14BrNO2S — CID 1105883

IUPAC1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCc2ccccc21
InChIInChI=1S/C15H14BrNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2
InChIKeyNNXXNQBMJZSBPH-UHFFFAOYSA-N
MW352.25 g/mol
LogP3.59
Rot. Bonds2

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

1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 1105883) has the molecular formula C15H14BrNO2S and a molecular weight of 352.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID1105883
Molecular FormulaC15H14BrNO2S
Molecular Weight352.25 g/mol
Exact Mass350.99
IUPAC Name1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCc2ccccc21
InChIInChI=1S/C15H14BrNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2
InChIKeyNNXXNQBMJZSBPH-UHFFFAOYSA-N
XLogP3.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 53.59
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-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 1105883) is 1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline is O=S(=O)(c1ccc(Br)cc1)N1CCCc2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is NNXXNQBMJZSBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2.
What are the key properties of 1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 352.25 g/mol, XLogP of 3.59, 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-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 1105883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).