5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one

C16H9Br2Cl2NO3S — CID 66811587

IUPAC5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Br)cc(Br)c2cc1S(=O)(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Br2Cl2NO3S/c17-9-3-12(18)11-6-15(16(22)21-14(11)4-9)25(23,24)7-8-1-2-10(19)5-13(8)20/h1-6H,7H2,(H,21,22)
InChIKeyHSVLNXYNFAVNBJ-UHFFFAOYSA-N
MW526.03 g/mol
LogP5.33
Rot. Bonds3

About 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one

5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one (PubChem CID 66811587) has the molecular formula C16H9Br2Cl2NO3S and a molecular weight of 526.03 g/mol. Its IUPAC name is 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one
PubChem CID66811587
Molecular FormulaC16H9Br2Cl2NO3S
Molecular Weight526.03 g/mol
Exact Mass522.80
IUPAC Name5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Br)cc(Br)c2cc1S(=O)(=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Br2Cl2NO3S/c17-9-3-12(18)11-6-15(16(22)21-14(11)4-9)25(23,24)7-8-1-2-10(19)5-13(8)20/h1-6H,7H2,(H,21,22)
InChIKeyHSVLNXYNFAVNBJ-UHFFFAOYSA-N
XLogP5.33
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.03
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(2,4-dichlorophenyl)methylsulfonyl]aniline
CID 81207755
7-chloro-3-[(7-chloro-2-oxo-1H-quinolin-3-yl)sulfonylmethylsulfonyl]-1H-quinolin-2-one
CID 87164630
3-[(2,4-dichlorophenyl)methylsulfonyl]-4-methylaniline
CID 81190195
1-[2-[(4-bromophenyl)sulfonylmethyl]phenyl]-3-(2,4-dichlorophenyl)propan-2-one
CID 158315475
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727
2-[(2,4-dichlorophenyl)methylsulfonyl]-4-methoxyaniline
CID 81201299
(2-bromo-4-chlorophenyl)methanesulfonamide
CID 71683198
5-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126047615
2-bromo-1-[(2-bromo-5-chlorophenyl)methylsulfonyl]-4-methylbenzene
CID 141073650
[2-[(2,4-dichlorophenyl)methylsulfonyl]-4-(dimethylamino)phenyl]iminoazanium
CID 20734094
3-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methylsulfonyl]prop-2-enenitrile
CID 68943895
2,4-dichloro-1-[2,2-dibromo-2-[1,1-dibromo-2-(2,4-dichlorophenyl)ethyl]sulfonylethyl]benzene
CID 87151632

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one?
The IUPAC name of 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one (CID 66811587) is 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one?
The canonical SMILES for 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one is O=c1[nH]c2cc(Br)cc(Br)c2cc1S(=O)(=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one?
The InChIKey is HSVLNXYNFAVNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Br2Cl2NO3S/c17-9-3-12(18)11-6-15(16(22)21-14(11)4-9)25(23,24)7-8-1-2-10(19)5-13(8)20/h1-6H,7H2,(H,21,22).
What are the key properties of 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one?
5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one has a molecular weight of 526.03 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-[(2,4-dichlorophenyl)methylsulfonyl]-1H-quinolin-2-one is sourced from PubChem (CID 66811587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).