5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride

C7H5BrClFO2S — CID 165459222

IUPAC5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride
SMILESCc1cc(Cl)c(Br)cc1S(=O)(=O)F
InChIInChI=1S/C7H5BrClFO2S/c1-4-2-6(9)5(8)3-7(4)13(10,11)12/h2-3H,1H3
InChIKeyVPMAACTYFBWMBC-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.07
Rot. Bonds1

About 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride

5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride (PubChem CID 165459222) has the molecular formula C7H5BrClFO2S and a molecular weight of 287.54 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride
PubChem CID165459222
Molecular FormulaC7H5BrClFO2S
Molecular Weight287.54 g/mol
Exact Mass285.89
IUPAC Name5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride
SMILESCc1cc(Cl)c(Br)cc1S(=O)(=O)F
InChIInChI=1S/C7H5BrClFO2S/c1-4-2-6(9)5(8)3-7(4)13(10,11)12/h2-3H,1H3
InChIKeyVPMAACTYFBWMBC-UHFFFAOYSA-N
XLogP3.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.07
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
5-Bromo-4-chloro-2-methylbenzene-1-sulfonamide
CID 125462136
(4-Bromo-3-chlorophenyl)methanesulfonyl fluoride
CID 165519161
2-(Bromomethyl)-4-chlorobenzenesulfonyl fluoride
CID 303935
5-Bromo-4-chloro-2-methylbenzene-1-thiol
CID 71144595
5-bromo-4-chloro-N,N,2-trimethylbenzenesulfonamide
CID 146486633
3-Bromo-4-chloro-2-methylbenzenesulfonic acid
CID 154272990
3-Bromo-4-chloro-2-methylbenzenesulfonyl chloride
CID 171001871
5-Bromo-4-chloro-2-cyanobenzenesulfonyl chloride
CID 131030254
3-Bromo-2-chloro-6-methylbenzenesulfonamide
CID 131538709
Sodium 5-bromo-4-chloro-2-methylbenzene-1-sulfinate
CID 165455997
5-Bromo-4-chloro-2-methylbenzenesulfinic acid
CID 165455998

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride?
The IUPAC name of 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride (CID 165459222) is 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride.
What is the SMILES notation for 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride?
The canonical SMILES for 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride is Cc1cc(Cl)c(Br)cc1S(=O)(=O)F.
What is the InChIKey of 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride?
The InChIKey is VPMAACTYFBWMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClFO2S/c1-4-2-6(9)5(8)3-7(4)13(10,11)12/h2-3H,1H3.
What are the key properties of 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride?
5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride has a molecular weight of 287.54 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-methylbenzenesulfonyl fluoride is sourced from PubChem (CID 165459222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).