4-(2,4-dichlorophenoxy)benzenesulfonamide

C12H9Cl2NO3S — CID 43342686

IUPAC4-(2,4-dichlorophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl2NO3S/c13-8-1-6-12(11(14)7-8)18-9-2-4-10(5-3-9)19(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyRMNYCPMNOVCEHO-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.43
Rot. Bonds3

About 4-(2,4-dichlorophenoxy)benzenesulfonamide

4-(2,4-dichlorophenoxy)benzenesulfonamide (PubChem CID 43342686) has the molecular formula C12H9Cl2NO3S and a molecular weight of 318.18 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)benzenesulfonamide
PubChem CID43342686
Molecular FormulaC12H9Cl2NO3S
Molecular Weight318.18 g/mol
Exact Mass316.97
IUPAC Name4-(2,4-dichlorophenoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl2NO3S/c13-8-1-6-12(11(14)7-8)18-9-2-4-10(5-3-9)19(15,16)17/h1-7H,(H2,15,16,17)
InChIKeyRMNYCPMNOVCEHO-UHFFFAOYSA-N
XLogP3.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-5-methylphenoxy)benzenesulfonamide
CID 43173861
3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
CID 61374077
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonamide
CID 61373703
2-(2,4-dichlorophenoxy)benzenesulfonamide
CID 2805105
3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzenesulfonamide
CID 154573621
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
4-(4,5-difluoro-2-methylphenoxy)benzenesulfonamide
CID 114276763
2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
CID 43448156
4-(4-bromo-2-chlorophenoxy)benzenesulfonyl chloride
CID 43114279
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
3-amino-4-(2,4-dichlorophenoxy)-N-methylbenzenesulfonamide
CID 43449278
[3-chloro-4-(4-methylsulfonylphenoxy)phenyl]methanamine
CID 63086683

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)benzenesulfonamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)benzenesulfonamide (CID 43342686) is 4-(2,4-dichlorophenoxy)benzenesulfonamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)benzenesulfonamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)benzenesulfonamide?
The InChIKey is RMNYCPMNOVCEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO3S/c13-8-1-6-12(11(14)7-8)18-9-2-4-10(5-3-9)19(15,16)17/h1-7H,(H2,15,16,17).
What are the key properties of 4-(2,4-dichlorophenoxy)benzenesulfonamide?
4-(2,4-dichlorophenoxy)benzenesulfonamide has a molecular weight of 318.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)benzenesulfonamide is sourced from PubChem (CID 43342686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).