4-bromo-3-chloro-2-methylbenzenesulfonyl chloride

C7H5BrCl2O2S — CID 50998046

IUPAC4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)ccc(Br)c1Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-6(13(10,11)12)3-2-5(8)7(4)9/h2-3H,1H3
InChIKeyIBGUPNRWQXZKPZ-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.34
Rot. Bonds1

About 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride

4-bromo-3-chloro-2-methylbenzenesulfonyl chloride (PubChem CID 50998046) has the molecular formula C7H5BrCl2O2S and a molecular weight of 303.99 g/mol. Its IUPAC name is 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
PubChem CID50998046
Molecular FormulaC7H5BrCl2O2S
Molecular Weight303.99 g/mol
Exact Mass301.86
IUPAC Name4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)ccc(Br)c1Cl
InChIInChI=1S/C7H5BrCl2O2S/c1-4-6(13(10,11)12)3-2-5(8)7(4)9/h2-3H,1H3
InChIKeyIBGUPNRWQXZKPZ-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

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CID 44891208
2-bromo-5-methylbenzenesulfonyl chloride
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CID 56604731
1-bromo-2-chloro-4-fluoro-3-methylbenzene
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3,4-dibromo-2-sulfanylbenzenesulfonyl chloride
CID 141094776
4-bromonaphthalene-1-sulfonyl chloride
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2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
4-bromo-3-chloro-2-iodobenzenesulfonamide
CID 171000259
4-bromo-3-chloro-2-methylphenol;ethane
CID 162438700
2-bromobenzenesulfonyl chloride;ethane
CID 145241155
3-bromo-2-methyl-4-nitrobenzenesulfonyl chloride
CID 131469700
2-bromo-3-iodo-4-methylbenzenesulfonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride (CID 50998046) is 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride is Cc1c(S(=O)(=O)Cl)ccc(Br)c1Cl.
What is the InChIKey of 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride?
The InChIKey is IBGUPNRWQXZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrCl2O2S/c1-4-6(13(10,11)12)3-2-5(8)7(4)9/h2-3H,1H3.
What are the key properties of 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride?
4-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 4-bromo-3-chloro-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 50998046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).