N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide

C15H13Cl2NO3S — CID 133064869

IUPACN-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=CC(Cl)(Cl)c2ccccc2)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-21-13-7-9-14(10-8-13)22(19,20)18-11-15(16,17)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyMQINOVADZYMLPI-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.79
Rot. Bonds5

About N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide

N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide (PubChem CID 133064869) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide
PubChem CID133064869
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC NameN-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N=CC(Cl)(Cl)c2ccccc2)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-21-13-7-9-14(10-8-13)22(19,20)18-11-15(16,17)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyMQINOVADZYMLPI-UHFFFAOYSA-N
XLogP3.79
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide (CID 133064869) is N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N=CC(Cl)(Cl)c2ccccc2)cc1.
What is the InChIKey of N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide?
The InChIKey is MQINOVADZYMLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-21-13-7-9-14(10-8-13)22(19,20)18-11-15(16,17)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide?
N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide has a molecular weight of 358.25 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 133064869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).