4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide

C12H8Cl3NO2S — CID 710439

IUPAC4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl3NO2S/c13-8-1-3-12(4-2-8)19(17,18)16-11-6-9(14)5-10(15)7-11/h1-7,16H
InChIKeyYTACCJMZGUDUFH-UHFFFAOYSA-N
MW336.63 g/mol
LogP4.45
Rot. Bonds3

About 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide

4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide (PubChem CID 710439) has the molecular formula C12H8Cl3NO2S and a molecular weight of 336.63 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
PubChem CID710439
Molecular FormulaC12H8Cl3NO2S
Molecular Weight336.63 g/mol
Exact Mass334.93
IUPAC Name4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl3NO2S/c13-8-1-3-12(4-2-8)19(17,18)16-11-6-9(14)5-10(15)7-11/h1-7,16H
InChIKeyYTACCJMZGUDUFH-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide (CID 710439) is 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
The InChIKey is YTACCJMZGUDUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3NO2S/c13-8-1-3-12(4-2-8)19(17,18)16-11-6-9(14)5-10(15)7-11/h1-7,16H.
What are the key properties of 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide?
4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide has a molecular weight of 336.63 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 710439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).