5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride

C8H6BrClFNO3S — CID 13488965

IUPAC5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride
SMILESCC(=O)Nc1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C8H6BrClFNO3S/c1-4(13)12-7-3-8(16(10,14)15)5(9)2-6(7)11/h2-3H,1H3,(H,12,13)
InChIKeyNKKSARYWJOJMIS-UHFFFAOYSA-N
MW330.56 g/mol
LogP2.47
Rot. Bonds2

About 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride

5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride (PubChem CID 13488965) has the molecular formula C8H6BrClFNO3S and a molecular weight of 330.56 g/mol. Its IUPAC name is 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride
PubChem CID13488965
Molecular FormulaC8H6BrClFNO3S
Molecular Weight330.56 g/mol
Exact Mass328.89
IUPAC Name5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride
SMILESCC(=O)Nc1cc(S(=O)(=O)Cl)c(Br)cc1F
InChIInChI=1S/C8H6BrClFNO3S/c1-4(13)12-7-3-8(16(10,14)15)5(9)2-6(7)11/h2-3H,1H3,(H,12,13)
InChIKeyNKKSARYWJOJMIS-UHFFFAOYSA-N
XLogP2.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 43436763
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
2-acetamido-5-chlorobenzene-1,4-disulfonyl chloride
CID 91622942
2-bromo-4-fluoro-5-iodobenzenesulfonyl chloride
CID 171001525
2-bromo-4-fluoro-5-[(2-methylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 65396064
2-bromo-4-fluoro-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 65370283
2-bromo-5-(cyclopentylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65367755
3-bromo-2,5-difluorobenzenesulfonyl chloride
CID 54379847
4-bromo-5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368132
2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65370657
N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 30668145
N-(5-fluoro-2-methyl-4-sulfamoylphenyl)acetamide
CID 20553706

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride (CID 13488965) is 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride is CC(=O)Nc1cc(S(=O)(=O)Cl)c(Br)cc1F.
What is the InChIKey of 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride?
The InChIKey is NKKSARYWJOJMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFNO3S/c1-4(13)12-7-3-8(16(10,14)15)5(9)2-6(7)11/h2-3H,1H3,(H,12,13).
What are the key properties of 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride?
5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride has a molecular weight of 330.56 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-bromo-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 13488965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).