2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide

C26H22Cl2N4O5S — CID 126136011

IUPAC2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc3ccc(OC)cc3nc2Cl)c2cccc(Cl)c2)cc1
InChIInChI=1S/C26H22Cl2N4O5S/c1-36-21-8-10-23(11-9-21)38(34,35)32(20-5-3-4-19(27)13-20)16-25(33)31-29-15-18-12-17-6-7-22(37-2)14-24(17)30-26(18)28/h3-15H,16H2,1-2H3,(H,31,33)/b29-15-
InChIKeyWBQFJJLQPLCSQT-FDVSRXAVSA-N
MW573.46 g/mol
LogP4.90
Rot. Bonds9

About 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide (PubChem CID 126136011) has the molecular formula C26H22Cl2N4O5S and a molecular weight of 573.46 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
PubChem CID126136011
Molecular FormulaC26H22Cl2N4O5S
Molecular Weight573.46 g/mol
Exact Mass572.07
IUPAC Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc3ccc(OC)cc3nc2Cl)c2cccc(Cl)c2)cc1
InChIInChI=1S/C26H22Cl2N4O5S/c1-36-21-8-10-23(11-9-21)38(34,35)32(20-5-3-4-19(27)13-20)16-25(33)31-29-15-18-12-17-6-7-22(37-2)14-24(17)30-26(18)28/h3-15H,16H2,1-2H3,(H,31,33)/b29-15-
InChIKeyWBQFJJLQPLCSQT-FDVSRXAVSA-N
XLogP4.90
TPSA110.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 124534853
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 98103073
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 94838495
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 3128292
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 126131461
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 126140562
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 21214985
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 98103035
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125629
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125145
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126121826
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126153493

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide (CID 126136011) is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc3ccc(OC)cc3nc2Cl)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide?
The InChIKey is WBQFJJLQPLCSQT-FDVSRXAVSA-N. The full InChI is InChI=1S/C26H22Cl2N4O5S/c1-36-21-8-10-23(11-9-21)38(34,35)32(20-5-3-4-19(27)13-20)16-25(33)31-29-15-18-12-17-6-7-22(37-2)14-24(17)30-26(18)28/h3-15H,16H2,1-2H3,(H,31,33)/b29-15-.
What are the key properties of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide?
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide has a molecular weight of 573.46 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 126136011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).