N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide

C24H19ClN2O5S — CID 135860607

IUPACN-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c3ccc(/C=C/c4ccc(O)cc4)nc3c2O)cc1
InChIInChI=1S/C24H19ClN2O5S/c1-32-18-9-11-19(12-10-18)33(30,31)27-22-14-21(25)20-13-6-16(26-23(20)24(22)29)5-2-15-3-7-17(28)8-4-15/h2-14,27-29H,1H3/b5-2+
InChIKeyKGUYELDWEBNXEI-GORDUTHDSA-N
MW482.95 g/mol
LogP5.28
Rot. Bonds6

About N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide

N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide (PubChem CID 135860607) has the molecular formula C24H19ClN2O5S and a molecular weight of 482.95 g/mol. Its IUPAC name is N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide
PubChem CID135860607
Molecular FormulaC24H19ClN2O5S
Molecular Weight482.95 g/mol
Exact Mass482.07
IUPAC NameN-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c3ccc(/C=C/c4ccc(O)cc4)nc3c2O)cc1
InChIInChI=1S/C24H19ClN2O5S/c1-32-18-9-11-19(12-10-18)33(30,31)27-22-14-21(25)20-13-6-16(26-23(20)24(22)29)5-2-15-3-7-17(28)8-4-15/h2-14,27-29H,1H3/b5-2+
InChIKeyKGUYELDWEBNXEI-GORDUTHDSA-N
XLogP5.28
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.95
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5,7-dichloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinolin-8-ol
CID 6187033
5-chloro-8-hydroxy-N-methyl-2-[(E)-2-phenylethenyl]quinoline-7-sulfonamide
CID 18344982
5,7-dichloro-2-[(E)-2-(4-ethoxyphenyl)ethenyl]quinolin-8-ol
CID 71450723
methyl 4-[[4-[2-(5,7-dichloro-8-hydroxyquinolin-2-yl)ethenyl]phenoxy]methyl]benzoate
CID 3909909
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 135557835
N-(3-chloro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 78995720
N-(5-chloro-4-fluoro-2-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 82721249
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 121304384
5,7-dichloro-2-[(E)-2-(4-ethylphenyl)ethenyl]quinolin-8-ol
CID 7946483
N-(2-chloro-5-methylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 2477654
7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
CID 141228959
5,7-dichloro-2-[(E)-2-naphthalen-2-ylethenyl]quinolin-8-ol
CID 7946493

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide (CID 135860607) is N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)c3ccc(/C=C/c4ccc(O)cc4)nc3c2O)cc1.
What is the InChIKey of N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide?
The InChIKey is KGUYELDWEBNXEI-GORDUTHDSA-N. The full InChI is InChI=1S/C24H19ClN2O5S/c1-32-18-9-11-19(12-10-18)33(30,31)27-22-14-21(25)20-13-6-16(26-23(20)24(22)29)5-2-15-3-7-17(28)8-4-15/h2-14,27-29H,1H3/b5-2+.
What are the key properties of N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide?
N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide has a molecular weight of 482.95 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-8-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinolin-7-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 135860607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).