N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide

C18H20Cl2N2O5S — CID 110516571

IUPACN-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(Cl)c2)c1
InChIInChI=1S/C18H20Cl2N2O5S/c1-11(2)27-18-14(19)7-12(8-15(18)20)10-21-22-28(23,24)17-9-13(25-3)5-6-16(17)26-4/h5-11,22H,1-4H3/b21-10+
InChIKeyJLUHXHALLYJQKA-UFFVCSGVSA-N
MW447.34 g/mol
LogP4.11
Rot. Bonds8

About N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide

N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide (PubChem CID 110516571) has the molecular formula C18H20Cl2N2O5S and a molecular weight of 447.34 g/mol. Its IUPAC name is N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
PubChem CID110516571
Molecular FormulaC18H20Cl2N2O5S
Molecular Weight447.34 g/mol
Exact Mass446.05
IUPAC NameN-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(Cl)c2)c1
InChIInChI=1S/C18H20Cl2N2O5S/c1-11(2)27-18-14(19)7-12(8-15(18)20)10-21-22-28(23,24)17-9-13(25-3)5-6-16(17)26-4/h5-11,22H,1-4H3/b21-10+
InChIKeyJLUHXHALLYJQKA-UFFVCSGVSA-N
XLogP4.11
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2,5-dimethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 27524457
2,5-dimethoxy-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]benzenesulfonamide
CID 110516624
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 17381305
5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517070
2-methoxy-N-[(E)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]-5-methylbenzenesulfonamide
CID 110518061
5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 110517051
5-chloro-2-methoxy-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110517026
2,5-dimethoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516616
N-[(E)-(2-fluorophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516512
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzenesulfonamide
CID 110517739
2,5-dimethoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 6131907

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide (CID 110516571) is N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(Cl)c2)c1.
What is the InChIKey of N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is JLUHXHALLYJQKA-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H20Cl2N2O5S/c1-11(2)27-18-14(19)7-12(8-15(18)20)10-21-22-28(23,24)17-9-13(25-3)5-6-16(17)26-4/h5-11,22H,1-4H3/b21-10+.
What are the key properties of N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide?
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 447.34 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110516571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).