4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride

C8H7BrCl2O2S — CID 174540305

IUPAC4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CCBr)cc1Cl
InChIInChI=1S/C8H7BrCl2O2S/c9-4-3-6-1-2-8(7(10)5-6)14(11,12)13/h1-2,5H,3-4H2
InChIKeyUQGJIFPYDKITNN-UHFFFAOYSA-N
MW318.02 g/mol
LogP3.20
Rot. Bonds3

About 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride

4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride (PubChem CID 174540305) has the molecular formula C8H7BrCl2O2S and a molecular weight of 318.02 g/mol. Its IUPAC name is 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride
PubChem CID174540305
Molecular FormulaC8H7BrCl2O2S
Molecular Weight318.02 g/mol
Exact Mass315.87
IUPAC Name4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(CCBr)cc1Cl
InChIInChI=1S/C8H7BrCl2O2S/c9-4-3-6-1-2-8(7(10)5-6)14(11,12)13/h1-2,5H,3-4H2
InChIKeyUQGJIFPYDKITNN-UHFFFAOYSA-N
XLogP3.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.02
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromoethyl)-2-fluoro-1-methylsulfonylbenzene
CID 174530184
4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865
4-tert-butyl-2-chlorobenzenesulfonyl chloride
CID 22148827
4-(bromomethyl)-2-chloro-N,N-dimethylbenzenesulfonamide
CID 135318888
5-(2-bromoethyl)-2-chlorobenzamide
CID 57248047
2-chloro-4-cyclopropylbenzenesulfonyl chloride
CID 46186536
4-bromo-2-chlorobenzenesulfonyl chloride;4-bromo-2-chloro-1-[2-(4-methylphenyl)ethylsulfonyl]benzene;(4-methylphenyl)methanamine
CID 160884925
ethyl 4-(2-bromoethyl)-2-chlorobenzoate
CID 174282952
4-(3-bromopropyl)-2-chloro-1-methylbenzene
CID 59407652
4-(chloromethyl)-2-methylbenzenesulfonyl chloride
CID 83272073
2-(3,4-dichlorophenyl)ethanesulfonamide
CID 112639856
3-bromo-2,4-dichlorobenzenesulfonyl chloride
CID 56604731

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride?
The IUPAC name of 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride (CID 174540305) is 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride?
The canonical SMILES for 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(CCBr)cc1Cl.
What is the InChIKey of 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride?
The InChIKey is UQGJIFPYDKITNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2O2S/c9-4-3-6-1-2-8(7(10)5-6)14(11,12)13/h1-2,5H,3-4H2.
What are the key properties of 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride?
4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride has a molecular weight of 318.02 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-2-chlorobenzenesulfonyl chloride is sourced from PubChem (CID 174540305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).