4-(3,5-dichlorophenyl)benzenesulfonyl chloride

C12H7Cl3O2S — CID 3771398

IUPAC4-(3,5-dichlorophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C12H7Cl3O2S/c13-10-5-9(6-11(14)7-10)8-1-3-12(4-2-8)18(15,16)17/h1-7H
InChIKeyKBMKQHVXGMOKKI-UHFFFAOYSA-N
MW321.61 g/mol
LogP4.59
Rot. Bonds2

About 4-(3,5-dichlorophenyl)benzenesulfonyl chloride

4-(3,5-dichlorophenyl)benzenesulfonyl chloride (PubChem CID 3771398) has the molecular formula C12H7Cl3O2S and a molecular weight of 321.61 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)benzenesulfonyl chloride
PubChem CID3771398
Molecular FormulaC12H7Cl3O2S
Molecular Weight321.61 g/mol
Exact Mass319.92
IUPAC Name4-(3,5-dichlorophenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C12H7Cl3O2S/c13-10-5-9(6-11(14)7-10)8-1-3-12(4-2-8)18(15,16)17/h1-7H
InChIKeyKBMKQHVXGMOKKI-UHFFFAOYSA-N
XLogP4.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.61
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)benzenesulfonyl chloride?
The IUPAC name of 4-(3,5-dichlorophenyl)benzenesulfonyl chloride (CID 3771398) is 4-(3,5-dichlorophenyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(3,5-dichlorophenyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(3,5-dichlorophenyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 4-(3,5-dichlorophenyl)benzenesulfonyl chloride?
The InChIKey is KBMKQHVXGMOKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O2S/c13-10-5-9(6-11(14)7-10)8-1-3-12(4-2-8)18(15,16)17/h1-7H.
What are the key properties of 4-(3,5-dichlorophenyl)benzenesulfonyl chloride?
4-(3,5-dichlorophenyl)benzenesulfonyl chloride has a molecular weight of 321.61 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)benzenesulfonyl chloride is sourced from PubChem (CID 3771398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).