4-bromo-3-chloro-5-methylbenzenesulfonyl chloride

C7H5BrCl2O2S — CID 56604777

IUPAC4-bromo-3-chloro-5-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(Cl)c1Br
InChIInChI=1S/C7H5BrCl2O2S/c1-4-2-5(13(10,11)12)3-6(9)7(4)8/h2-3H,1H3
InChIKeyGDKWEELELDHMIT-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.34
Rot. Bonds1

About 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride

4-bromo-3-chloro-5-methylbenzenesulfonyl chloride (PubChem CID 56604777) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-chloro-5-methylbenzenesulfonyl chloride
PubChem CID56604777
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name4-bromo-3-chloro-5-methylbenzenesulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)cc(Cl)c1Br
InChIInChI=1S/C7H5BrCl2O2S/c1-4-2-5(13(10,11)12)3-6(9)7(4)8/h2-3H,1H3
InChIKeyGDKWEELELDHMIT-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride?
The IUPAC name of 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride (CID 56604777) is 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride is Cc1cc(S(=O)(=O)Cl)cc(Cl)c1Br.
What is the InChIKey of 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride?
The InChIKey is GDKWEELELDHMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c1-4-2-5(13(10,11)12)3-6(9)7(4)8/h2-3H,1H3.
What are the key properties of 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride?
4-bromo-3-chloro-5-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 4-bromo-3-chloro-5-methylbenzenesulfonyl chloride is sourced from PubChem (CID 56604777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).