N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C29H25Cl2N3O4S — CID 126146437

IUPACN-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)cc2)cc1
InChIInChI=1S/C29H25Cl2N3O4S/c1-20-3-14-26(15-4-20)39(36,37)34(2)24-10-8-23(9-11-24)29(35)33-32-18-21-5-12-25(13-6-21)38-19-22-7-16-27(30)28(31)17-22/h3-18H,19H2,1-2H3,(H,33,35)/b32-18-
InChIKeyDZWCURZCZHYCSF-CAQPMQTCSA-N
MW582.51 g/mol
LogP6.47
Rot. Bonds9

About N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 126146437) has the molecular formula C29H25Cl2N3O4S and a molecular weight of 582.51 g/mol. Its IUPAC name is N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID126146437
Molecular FormulaC29H25Cl2N3O4S
Molecular Weight582.51 g/mol
Exact Mass581.09
IUPAC NameN-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)cc2)cc1
InChIInChI=1S/C29H25Cl2N3O4S/c1-20-3-14-26(15-4-20)39(36,37)34(2)24-10-8-23(9-11-24)29(35)33-32-18-21-5-12-25(13-6-21)38-19-22-7-16-27(30)28(31)17-22/h3-18H,19H2,1-2H3,(H,33,35)/b32-18-
InChIKeyDZWCURZCZHYCSF-CAQPMQTCSA-N
XLogP6.47
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.51
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124875
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126126887
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
4-amino-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 7650399
4-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 78518160
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126035355
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 45054949
4-[(4-methylphenyl)methoxy]-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 51061114
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 6307220
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126192299

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 126146437) is N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is DZWCURZCZHYCSF-CAQPMQTCSA-N. The full InChI is InChI=1S/C29H25Cl2N3O4S/c1-20-3-14-26(15-4-20)39(36,37)34(2)24-10-8-23(9-11-24)29(35)33-32-18-21-5-12-25(13-6-21)38-19-22-7-16-27(30)28(31)17-22/h3-18H,19H2,1-2H3,(H,33,35)/b32-18-.
What are the key properties of N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 582.51 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 126146437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).