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

C16H16BrNO2S — CID 46229729

IUPAC1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2S/c1-12-6-7-13-4-2-3-5-16(13)18(12)21(19,20)15-10-8-14(17)9-11-15/h2-5,8-12H,6-7H2,1H3
InChIKeyVLIWNUDATCDSSS-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.98
Rot. Bonds2

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

1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (PubChem CID 46229729) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
PubChem CID46229729
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC Name1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrNO2S/c1-12-6-7-13-4-2-3-5-16(13)18(12)21(19,20)15-10-8-14(17)9-11-15/h2-5,8-12H,6-7H2,1H3
InChIKeyVLIWNUDATCDSSS-UHFFFAOYSA-N
XLogP3.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.98
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-2-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline (CID 46229729) is 1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is VLIWNUDATCDSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-12-6-7-13-4-2-3-5-16(13)18(12)21(19,20)15-10-8-14(17)9-11-15/h2-5,8-12H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline?
1-(4-bromophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 366.28 g/mol, XLogP of 3.98, 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-2-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 46229729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).