2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide

C16H11Cl2NO2S — CID 70133318

IUPAC2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO2S/c17-12-8-9-16(14(18)10-12)22(20,21)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10,19H
InChIKeyPKTXIRUJZHRVPR-UHFFFAOYSA-N
MW352.24 g/mol
LogP4.95
Rot. Bonds3

About 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide

2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 70133318) has the molecular formula C16H11Cl2NO2S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID70133318
Molecular FormulaC16H11Cl2NO2S
Molecular Weight352.24 g/mol
Exact Mass350.99
IUPAC Name2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl2NO2S/c17-12-8-9-16(14(18)10-12)22(20,21)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10,19H
InChIKeyPKTXIRUJZHRVPR-UHFFFAOYSA-N
XLogP4.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide 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 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide (CID 70133318) is 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is PKTXIRUJZHRVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2S/c17-12-8-9-16(14(18)10-12)22(20,21)19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10,19H.
What are the key properties of 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide?
2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 352.24 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 70133318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).