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

C7H5BrCl2O2S — CID 170565395

IUPAC3-bromo-5-chloro-4-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C7H5BrCl2O2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3
InChIKeySNWOMGWKZHFBGP-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.34
Rot. Bonds1

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

3-bromo-5-chloro-4-methylbenzenesulfonyl chloride (PubChem CID 170565395) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-bromo-5-chloro-4-methylbenzenesulfonyl chloride
PubChem CID170565395
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name3-bromo-5-chloro-4-methylbenzenesulfonyl chloride
SMILESCc1c(Cl)cc(S(=O)(=O)Cl)cc1Br
InChIInChI=1S/C7H5BrCl2O2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3
InChIKeySNWOMGWKZHFBGP-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

(2-Bromo-6-chlorophenyl)methanesulfonyl chloride
CID 117488799
3-Bromo-5-chloro-2-fluoro-6-methylbenzenesulfonyl chloride
CID 162727820
4-(Bromomethyl)-3-chlorobenzene-1-sulfonyl chloride
CID 19384965
2,5-Dibromo-3-chloro-4-methylbenzenesulfonic acid
CID 54119440
3-Bromo-5-chloro-4-methylbenzenesulfonic acid
CID 54235186
5-Bromo-3-chloro-2-methylbenzenesulfonamide
CID 131415088
3-Bromo-5-chloro-2-methylbenzenesulfonyl chloride
CID 153327466
3-Bromo-5-chloro-2-iodo-4-methylbenzenesulfonic acid
CID 154251985
3-bromo-N-tert-butyl-5-chloro-4-methylbenzenesulfonamide
CID 170743837
1-Bromo-3-chloro-5-(2,2-dimethylpropylsulfonyl)-2-methylbenzene
CID 170744008
3-Bromo-5-chloro-2-methylbenzenesulfonamide
CID 53443946
2-Bromo-5-chloro-4-methylbenzene-1-sulfonyl chloride
CID 104723143

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-methylbenzenesulfonyl chloride?
The IUPAC name of 3-bromo-5-chloro-4-methylbenzenesulfonyl chloride (CID 170565395) is 3-bromo-5-chloro-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-bromo-5-chloro-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-bromo-5-chloro-4-methylbenzenesulfonyl chloride is Cc1c(Cl)cc(S(=O)(=O)Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-4-methylbenzenesulfonyl chloride?
The InChIKey is SNWOMGWKZHFBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3.
What are the key properties of 3-bromo-5-chloro-4-methylbenzenesulfonyl chloride?
3-bromo-5-chloro-4-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 3-bromo-5-chloro-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 170565395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).