N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide

C15H15ClN2O3S — CID 726961

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-11(12-3-5-13(16)6-4-12)17-18-22(19,20)15-9-7-14(21-2)8-10-15/h3-10,18H,1-2H3
InChIKeyYPMKTVSMBAIMGE-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.05
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide

N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide (PubChem CID 726961) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide
PubChem CID726961
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NN=C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-11(12-3-5-13(16)6-4-12)17-18-22(19,20)15-9-7-14(21-2)8-10-15/h3-10,18H,1-2H3
InChIKeyYPMKTVSMBAIMGE-UHFFFAOYSA-N
XLogP3.05
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.05
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-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide (CID 726961) is N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NN=C(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide?
The InChIKey is YPMKTVSMBAIMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-11(12-3-5-13(16)6-4-12)17-18-22(19,20)15-9-7-14(21-2)8-10-15/h3-10,18H,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide?
N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide has a molecular weight of 338.82 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 726961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).