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

C14H14BrNO2S2 — CID 22205745

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO2S2/c1-10-4-5-12-11(9-10)3-2-8-16(12)20(17,18)14-7-6-13(15)19-14/h4-7,9H,2-3,8H2,1H3
InChIKeyPQHCNFAQLBRARM-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.96
Rot. Bonds2

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

1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 22205745) has the molecular formula C14H14BrNO2S2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID22205745
Molecular FormulaC14H14BrNO2S2
Molecular Weight372.31 g/mol
Exact Mass370.96
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H14BrNO2S2/c1-10-4-5-12-11(9-10)3-2-8-16(12)20(17,18)14-7-6-13(15)19-14/h4-7,9H,2-3,8H2,1H3
InChIKeyPQHCNFAQLBRARM-UHFFFAOYSA-N
XLogP3.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(bromomethylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 83093286
4-methyl-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-3H-1,3-thiazol-2-one
CID 60724712
1-(5-bromothiophen-2-yl)sulfonyl-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 27305230
1-(3-bromo-4-methoxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 31324854
3-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62150985
methyl 2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoate
CID 51170271
1-(1,3-benzodioxol-5-ylsulfonyl)-6-methyl-3,4-dihydro-2H-quinoline
CID 110714208
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
1,5-dimethyl-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyrazole-3-carboxylic acid
CID 167978088
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 91956362

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline (CID 22205745) is 1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is PQHCNFAQLBRARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S2/c1-10-4-5-12-11(9-10)3-2-8-16(12)20(17,18)14-7-6-13(15)19-14/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline?
1-(5-bromothiophen-2-yl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 372.31 g/mol, XLogP of 3.96, 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-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 22205745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).