1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline

C15H12Cl2FNO2S — CID 24656900

IUPAC1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCCc2cccc(F)c21
InChIInChI=1S/C15H12Cl2FNO2S/c16-11-6-7-12(17)14(9-11)22(20,21)19-8-2-4-10-3-1-5-13(18)15(10)19/h1,3,5-7,9H,2,4,8H2
InChIKeyGYSMHWBXJMCKPG-UHFFFAOYSA-N
MW360.24 g/mol
LogP4.27
Rot. Bonds2

About 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline

1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline (PubChem CID 24656900) has the molecular formula C15H12Cl2FNO2S and a molecular weight of 360.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline
PubChem CID24656900
Molecular FormulaC15H12Cl2FNO2S
Molecular Weight360.24 g/mol
Exact Mass358.99
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(c1cc(Cl)ccc1Cl)N1CCCc2cccc(F)c21
InChIInChI=1S/C15H12Cl2FNO2S/c16-11-6-7-12(17)14(9-11)22(20,21)19-8-2-4-10-3-1-5-13(18)15(10)19/h1,3,5-7,9H,2,4,8H2
InChIKeyGYSMHWBXJMCKPG-UHFFFAOYSA-N
XLogP4.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-8-fluoro-3,4-dihydro-2H-quinoline
CID 24656598
1-(2-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 63214935
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 2129442
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-[(5-chloro-3-pyridinyl)sulfonyl]-7-fluoro-2,3-dihydroindole
CID 75432386
1-(5-chloro-2-methylphenyl)sulfonyl-2,3-dihydroindol-7-amine
CID 114456043
2-[3-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxyphenyl]acetic acid
CID 51125516
4-chloro-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8831578
5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
CID 56797604
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,3-difluorophenyl)methyl]piperazine
CID 19582940
7-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 56798632
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline
CID 18125897

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline (CID 24656900) is 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline is O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCc2cccc(F)c21.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline?
The InChIKey is GYSMHWBXJMCKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2S/c16-11-6-7-12(17)14(9-11)22(20,21)19-8-2-4-10-3-1-5-13(18)15(10)19/h1,3,5-7,9H,2,4,8H2.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline?
1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline has a molecular weight of 360.24 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-8-fluoro-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 24656900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).