5-bromo-3-chloro-2-methylbenzenesulfonyl chloride

C7H5BrCl2O2S — CID 171001977

IUPAC5-bromo-3-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-6(9)2-5(8)3-7(4)13(10,11)12/h2-3H,1H3
InChIKeyIVVSNQAOKFAZSN-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.34
Rot. Bonds1

About 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride

5-bromo-3-chloro-2-methylbenzenesulfonyl chloride (PubChem CID 171001977) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-methylbenzenesulfonyl chloride
PubChem CID171001977
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name5-bromo-3-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-6(9)2-5(8)3-7(4)13(10,11)12/h2-3H,1H3
InChIKeyIVVSNQAOKFAZSN-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-4-chloro-2-methylbenzene-1-sulfonyl chloride
CID 89310806
4-Bromo-3-chloro-2-methylbenzene-1-sulfonyl chloride
CID 50998046
(4-Bromo-2-chlorophenyl)methanesulfonyl chloride
CID 83748714
3-Bromo-5-chloro-2-fluoro-6-methylbenzenesulfonyl chloride
CID 162727820
3-bromo-5-chloro-2-fluoro-N,N,6-trimethylbenzenesulfonamide
CID 162728193
5-Bromo-4-chloro-2-methylbenzene-1-sulfonyl fluoride
CID 165459222
3-Bromo-5-chloro-4-methylbenzenesulfonic acid
CID 54235186
4-Bromo-1-(4-bromo-2-sulfinatochloranuidylphenyl)-2-chlorosulfonylbenzene
CID 58036030
5-Bromo-3-chloro-2-methylbenzenesulfonamide
CID 131415088
3-Bromo-5-chloro-2-methylbenzenesulfonyl chloride
CID 153327466
4-bromo-1-[(E)-2-(4-bromo-2-sulfochloranuidylphenyl)ethenyl]-2-chlorooxysulfonylbenzene
CID 157242927
3-Bromo-5-chloro-4-methylbenzenesulfonyl chloride
CID 170565395

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride (CID 171001977) is 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride is Cc1c(Cl)cc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride?
The InChIKey is IVVSNQAOKFAZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c1-4-6(9)2-5(8)3-7(4)13(10,11)12/h2-3H,1H3.
What are the key properties of 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride?
5-bromo-3-chloro-2-methylbenzenesulfonyl chloride has a molecular weight of 303.99 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 171001977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).