1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol

C16H16BrNO3S — CID 110637019

IUPAC1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1cccc2c1N(S(=O)(=O)c1ccc(Br)cc1)CCC2O
InChIInChI=1S/C16H16BrNO3S/c1-11-3-2-4-14-15(19)9-10-18(16(11)14)22(20,21)13-7-5-12(17)6-8-13/h2-8,15,19H,9-10H2,1H3
InChIKeyHMCFPDYZIHJCRC-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol

1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110637019) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110637019
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC Name1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
SMILESCc1cccc2c1N(S(=O)(=O)c1ccc(Br)cc1)CCC2O
InChIInChI=1S/C16H16BrNO3S/c1-11-3-2-4-14-15(19)9-10-18(16(11)14)22(20,21)13-7-5-12(17)6-8-13/h2-8,15,19H,9-10H2,1H3
InChIKeyHMCFPDYZIHJCRC-UHFFFAOYSA-N
XLogP3.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-1-(4-propan-2-ylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637026
1-(4-ethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637024
1-(4-ethoxyphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637065
8-methyl-1-(3-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637071
1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637012
1-(2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637023
1-(4-methoxy-2-methylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637031
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637038
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-(4-bromophenyl)sulfonyl-7-propyl-2,3-dihydroindole-3-carboxylic acid
CID 70824616
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol (CID 110637019) is 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is Cc1cccc2c1N(S(=O)(=O)c1ccc(Br)cc1)CCC2O.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is HMCFPDYZIHJCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c1-11-3-2-4-14-15(19)9-10-18(16(11)14)22(20,21)13-7-5-12(17)6-8-13/h2-8,15,19H,9-10H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol?
1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 382.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110637019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).