6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline

C17H12Br2ClNO3S — CID 138637241

IUPAC6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H12Br2ClNO3S/c1-24-17-14(9-25(22,23)12-5-2-10(18)3-6-12)16(20)13-8-11(19)4-7-15(13)21-17/h2-8H,9H2,1H3
InChIKeyATKSZMKETCUMMN-UHFFFAOYSA-N
MW505.62 g/mol
LogP5.40
Rot. Bonds4

About 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline

6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline (PubChem CID 138637241) has the molecular formula C17H12Br2ClNO3S and a molecular weight of 505.62 g/mol. Its IUPAC name is 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline.

Molecular Properties

Compound Name6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline
PubChem CID138637241
Molecular FormulaC17H12Br2ClNO3S
Molecular Weight505.62 g/mol
Exact Mass502.86
IUPAC Name6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline
SMILESCOc1nc2ccc(Br)cc2c(Cl)c1CS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H12Br2ClNO3S/c1-24-17-14(9-25(22,23)12-5-2-10(18)3-6-12)16(20)13-8-11(19)4-7-15(13)21-17/h2-8H,9H2,1H3
InChIKeyATKSZMKETCUMMN-UHFFFAOYSA-N
XLogP5.40
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-4-chloro-2-methoxy-3-(2-methylpropyl)quinoline
CID 118022089
3-benzyl-6-bromo-4-chloro-2-methoxyquinoline
CID 59766854
(6-bromo-4-chloro-2-methoxyquinolin-3-yl)methoxy-tri(propan-2-yl)silane
CID 123485495
6-bromo-4-chloro-3-[(4,4-difluorocyclohexyl)methyl]-2-methoxyquinoline
CID 118021557
N-(6-bromo-2-chloroquinazolin-4-yl)acetamide
CID 133061494
6-bromo-2-(4-bromophenyl)-3-methoxyquinoxaline
CID 57420227
4-bromo-1-[(4-chlorophenyl)sulfonylmethyl]-2-fluorobenzene
CID 604533
3-[(4-bromophenyl)sulfonylmethyl]-4-methoxyaniline
CID 43444077
2-[(4-bromophenyl)sulfonylmethyl]-3-chloroaniline
CID 55241680
ethyl 2-[[(6-bromo-4-chloro-2-methoxyquinolin-3-yl)-phenylmethyl]-methylamino]acetate
CID 59766858
3-(6-bromo-4-methoxyquinazolin-2-yl)propan-1-amine
CID 84815598
7-bromo-1-methoxyisoquinoline
CID 67491611

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline?
The IUPAC name of 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline (CID 138637241) is 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline.
What is the SMILES notation for 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline?
The canonical SMILES for 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline is COc1nc2ccc(Br)cc2c(Cl)c1CS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline?
The InChIKey is ATKSZMKETCUMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2ClNO3S/c1-24-17-14(9-25(22,23)12-5-2-10(18)3-6-12)16(20)13-8-11(19)4-7-15(13)21-17/h2-8H,9H2,1H3.
What are the key properties of 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline?
6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline has a molecular weight of 505.62 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-bromophenyl)sulfonylmethyl]-4-chloro-2-methoxyquinoline is sourced from PubChem (CID 138637241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).