4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide

C13H11Cl2NO3S — CID 1486928

IUPAC4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide
SMILESO=S(=O)(NOCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NO3S/c14-11-3-1-10(2-4-11)9-19-16-20(17,18)13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKeySXJWXUBNPODHPY-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.40
Rot. Bonds5

About 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide

4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide (PubChem CID 1486928) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide
PubChem CID1486928
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide
SMILESO=S(=O)(NOCc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2NO3S/c14-11-3-1-10(2-4-11)9-19-16-20(17,18)13-7-5-12(15)6-8-13/h1-8,16H,9H2
InChIKeySXJWXUBNPODHPY-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide (CID 1486928) is 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide is O=S(=O)(NOCc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide?
The InChIKey is SXJWXUBNPODHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c14-11-3-1-10(2-4-11)9-19-16-20(17,18)13-7-5-12(15)6-8-13/h1-8,16H,9H2.
What are the key properties of 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide?
4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 1486928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).