2-bromo-6-phenylbenzenesulfonyl chloride

C12H8BrClO2S — CID 22318135

IUPAC2-bromo-6-phenylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)cccc1-c1ccccc1
InChIInChI=1S/C12H8BrClO2S/c13-11-8-4-7-10(12(11)17(14,15)16)9-5-2-1-3-6-9/h1-8H
InChIKeyVJQXXYPKZXROGN-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.04
Rot. Bonds2

About 2-bromo-6-phenylbenzenesulfonyl chloride

2-bromo-6-phenylbenzenesulfonyl chloride (PubChem CID 22318135) has the molecular formula C12H8BrClO2S and a molecular weight of 331.62 g/mol. Its IUPAC name is 2-bromo-6-phenylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-6-phenylbenzenesulfonyl chloride
PubChem CID22318135
Molecular FormulaC12H8BrClO2S
Molecular Weight331.62 g/mol
Exact Mass329.91
IUPAC Name2-bromo-6-phenylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)cccc1-c1ccccc1
InChIInChI=1S/C12H8BrClO2S/c13-11-8-4-7-10(12(11)17(14,15)16)9-5-2-1-3-6-9/h1-8H
InChIKeyVJQXXYPKZXROGN-UHFFFAOYSA-N
XLogP4.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-2,6-dimethylbenzenesulfonyl chloride
CID 2737468
4-Bromo-2-ethylbenzenesulfonyl chloride
CID 2737536
4'-Bromobiphenyl-4-sulfonyl chloride
CID 2756845
2-Bromo-6-methylbenzene-1-sulfonyl chloride
CID 58509331
2-(3-Bromophenyl)ethane-1-sulfonyl chloride
CID 72212615
4-Bromo-2-(propan-2-yl)benzene-1-sulfonyl chloride
CID 82708090
2-Bromo-6-methylbenzene-1-sulfonamide
CID 119015332
Bromo-biphenylsulfonamide
CID 20216631
5'-Bromo-4,2'-difluoro-2-methanesulfonylbiphenyl
CID 17964845
5-Bromo-2-fluoro-2'-(methanesulfonyl)biphenyl
CID 22285273
2-Bromo-6-(trifluoromethyl)benzenesulfonyl chloride
CID 71714561
4'-Bromo-2'-fluorobiphenyl sulfonic acid
CID 86620299

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-phenylbenzenesulfonyl chloride?
The IUPAC name of 2-bromo-6-phenylbenzenesulfonyl chloride (CID 22318135) is 2-bromo-6-phenylbenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-6-phenylbenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-6-phenylbenzenesulfonyl chloride is O=S(=O)(Cl)c1c(Br)cccc1-c1ccccc1.
What is the InChIKey of 2-bromo-6-phenylbenzenesulfonyl chloride?
The InChIKey is VJQXXYPKZXROGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClO2S/c13-11-8-4-7-10(12(11)17(14,15)16)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2-bromo-6-phenylbenzenesulfonyl chloride?
2-bromo-6-phenylbenzenesulfonyl chloride has a molecular weight of 331.62 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-phenylbenzenesulfonyl chloride is sourced from PubChem (CID 22318135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).