2,4-dibromo-5-methylbenzenesulfonyl chloride

C7H5Br2ClO2S — CID 171002124

IUPAC2,4-dibromo-5-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(Br)cc1Br
InChIInChI=1S/C7H5Br2ClO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3
InChIKeyUECLJDVMSKUUDU-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.45
Rot. Bonds1

About 2,4-dibromo-5-methylbenzenesulfonyl chloride

2,4-dibromo-5-methylbenzenesulfonyl chloride (PubChem CID 171002124) has the molecular formula C7H5Br2ClO2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2,4-dibromo-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dibromo-5-methylbenzenesulfonyl chloride
PubChem CID171002124
Molecular FormulaC7H5Br2ClO2S
Molecular Weight348.44 g/mol
Exact Mass345.81
IUPAC Name2,4-dibromo-5-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)c(Br)cc1Br
InChIInChI=1S/C7H5Br2ClO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3
InChIKeyUECLJDVMSKUUDU-UHFFFAOYSA-N
XLogP3.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-iodo-5-methylbenzenesulfonyl chloride
CID 171000930
2-bromo-5-iodo-4-methylbenzenesulfonyl chloride
CID 171000953
4-bromo-2-cyano-5-methylbenzenesulfonyl chloride
CID 118844502
2-bromo-5-methylbenzenesulfonyl chloride
CID 15155338
2,4-dibromo-N,N-diethyl-5-methylbenzenesulfonamide
CID 50876814
6-bromo-2-chloro-5-methylpyridine-3-sulfonyl chloride
CID 146372412
2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131266855
3-bromo-5-fluoro-2-methylbenzenesulfonyl chloride
CID 84715523
2-bromo-4-fluoro-5-iodobenzenesulfonyl chloride
CID 171001525
N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
CID 50876820
1,5-dibromo-2-chloro-4-methylbenzene
CID 18927059
2-bromo-5-hydroxybenzenesulfonyl chloride
CID 84713047

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-methylbenzenesulfonyl chloride?
The IUPAC name of 2,4-dibromo-5-methylbenzenesulfonyl chloride (CID 171002124) is 2,4-dibromo-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2,4-dibromo-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 2,4-dibromo-5-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-methylbenzenesulfonyl chloride?
The InChIKey is UECLJDVMSKUUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2ClO2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3.
What are the key properties of 2,4-dibromo-5-methylbenzenesulfonyl chloride?
2,4-dibromo-5-methylbenzenesulfonyl chloride has a molecular weight of 348.44 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 171002124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).