2-(4-chlorophenoxy)benzenesulfonyl chloride

C12H8Cl2O3S — CID 18687924

IUPAC2-(4-chlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2O3S/c13-9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18(14,15)16/h1-8H
InChIKeyBXMBHJORWHLDAS-UHFFFAOYSA-N
MW303.17 g/mol
LogP4.06
Rot. Bonds3

About 2-(4-chlorophenoxy)benzenesulfonyl chloride

2-(4-chlorophenoxy)benzenesulfonyl chloride (PubChem CID 18687924) has the molecular formula C12H8Cl2O3S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(4-chlorophenoxy)benzenesulfonyl chloride
PubChem CID18687924
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.17 g/mol
Exact Mass301.96
IUPAC Name2-(4-chlorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C12H8Cl2O3S/c13-9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18(14,15)16/h1-8H
InChIKeyBXMBHJORWHLDAS-UHFFFAOYSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]benzenesulfonyl chloride
CID 87588000
2-(3,4,5-trimethylphenoxy)benzenesulfonyl chloride
CID 18791826
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
2-(1-chloronaphthalen-2-yl)oxybenzenesulfonyl chloride
CID 18705215
4-(4-chlorophenoxy)benzenesulfonyl chloride;ethane
CID 143162061
2-(4-butan-2-yl-3-methylphenoxy)benzenesulfonyl chloride
CID 18705169
azane;2-phenoxybenzenesulfonic acid
CID 173031156
2-butoxybenzenesulfonyl chloride
CID 21253032
1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173
5-bromo-2-(4-bromophenoxy)benzenesulfonyl chloride
CID 86023753
3-chlorosulfonyl-4-phenoxybenzoic acid
CID 125468626
1,4-bis(4-chlorophenoxy)benzene
CID 10996522

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 2-(4-chlorophenoxy)benzenesulfonyl chloride (CID 18687924) is 2-(4-chlorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-(4-chlorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-(4-chlorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)benzenesulfonyl chloride?
The InChIKey is BXMBHJORWHLDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S/c13-9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18(14,15)16/h1-8H.
What are the key properties of 2-(4-chlorophenoxy)benzenesulfonyl chloride?
2-(4-chlorophenoxy)benzenesulfonyl chloride has a molecular weight of 303.17 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 18687924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).