N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide

C14H12Cl2N2O3S — CID 154162362

IUPACN-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3S/c1-21-10-5-7-11(8-6-10)22(19,20)18-17-9-12-13(15)3-2-4-14(12)16/h2-9,18H,1H3
InChIKeyGTBGTPKRUKMANS-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.31
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide

N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 154162362) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide
PubChem CID154162362
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC NameN-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H12Cl2N2O3S/c1-21-10-5-7-11(8-6-10)22(19,20)18-17-9-12-13(15)3-2-4-14(12)16/h2-9,18H,1H3
InChIKeyGTBGTPKRUKMANS-UHFFFAOYSA-N
XLogP3.31
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide (CID 154162362) is N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NN=Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is GTBGTPKRUKMANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-21-10-5-7-11(8-6-10)22(19,20)18-17-9-12-13(15)3-2-4-14(12)16/h2-9,18H,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide?
N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 359.23 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 154162362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).