N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride

C19H20Cl3N3O3S — CID 24825742

IUPACN-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3ccc(CN(C)C)nc23)cc1.Cl
InChIInChI=1S/C19H19Cl2N3O3S.ClH/c1-24(2)11-12-4-9-15-16(20)10-17(21)19(18(15)22-12)23-28(25,26)14-7-5-13(27-3)6-8-14;/h4-10,23H,11H2,1-3H3;1H
InChIKeyJVZIIBJYLPPOCI-UHFFFAOYSA-N
MW476.81 g/mol
LogP4.83
Rot. Bonds6

About N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride

N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride (PubChem CID 24825742) has the molecular formula C19H20Cl3N3O3S and a molecular weight of 476.81 g/mol. Its IUPAC name is N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride
PubChem CID24825742
Molecular FormulaC19H20Cl3N3O3S
Molecular Weight476.81 g/mol
Exact Mass475.03
IUPAC NameN-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3ccc(CN(C)C)nc23)cc1.Cl
InChIInChI=1S/C19H19Cl2N3O3S.ClH/c1-24(2)11-12-4-9-15-16(20)10-17(21)19(18(15)22-12)23-28(25,26)14-7-5-13(27-3)6-8-14;/h4-10,23H,11H2,1-3H3;1H
InChIKeyJVZIIBJYLPPOCI-UHFFFAOYSA-N
XLogP4.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.81
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5,7-dichloro-2-[[(1-methylimidazol-4-yl)methylamino]methyl]quinolin-8-yl]-4-methylbenzenesulfonamide
CID 25062715
5,7-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]-8-[(4-methoxyphenyl)sulfonylamino]quinoline-2-carboxamide
CID 143696554
N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 135860607
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
N-(3-chloropyrazin-2-yl)-4-methoxybenzenesulfonamide
CID 102989975
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660

Frequently Asked Questions

What is the IUPAC name of N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride (CID 24825742) is N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)Nc2c(Cl)cc(Cl)c3ccc(CN(C)C)nc23)cc1.Cl.
What is the InChIKey of N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is JVZIIBJYLPPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3S.ClH/c1-24(2)11-12-4-9-15-16(20)10-17(21)19(18(15)22-12)23-28(25,26)14-7-5-13(27-3)6-8-14;/h4-10,23H,11H2,1-3H3;1H.
What are the key properties of N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride?
N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 476.81 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,7-dichloro-2-[(dimethylamino)methyl]quinolin-8-yl]-4-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 24825742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).