N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide

C14H13Cl2NO3S — CID 3828225

IUPACN-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-13-2-4-14(5-3-13)21(18,19)17-9-10-6-11(15)8-12(16)7-10/h2-8,17H,9H2,1H3
InChIKeySWIIVKPYRHBTAF-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.48
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide

N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 3828225) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
PubChem CID3828225
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C14H13Cl2NO3S/c1-20-13-2-4-14(5-3-13)21(18,19)17-9-10-6-11(15)8-12(16)7-10/h2-8,17H,9H2,1H3
InChIKeySWIIVKPYRHBTAF-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide (CID 3828225) is N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is SWIIVKPYRHBTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-20-13-2-4-14(5-3-13)21(18,19)17-9-10-6-11(15)8-12(16)7-10/h2-8,17H,9H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide?
N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3828225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).