2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride

C8H6BrClFNO3S — CID 65367980

IUPAC2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
SMILESCNC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C8H6BrClFNO3S/c1-12-8(13)5-2-4(11)3-6(7(5)9)16(10,14)15/h2-3H,1H3,(H,12,13)
InChIKeyQCBNQVOJVMYDOM-UHFFFAOYSA-N
MW330.56 g/mol
LogP1.88
Rot. Bonds2

About 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride

2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65367980) has the molecular formula C8H6BrClFNO3S and a molecular weight of 330.56 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
PubChem CID65367980
Molecular FormulaC8H6BrClFNO3S
Molecular Weight330.56 g/mol
Exact Mass328.89
IUPAC Name2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
SMILESCNC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1Br
InChIInChI=1S/C8H6BrClFNO3S/c1-12-8(13)5-2-4(11)3-6(7(5)9)16(10,14)15/h2-3H,1H3,(H,12,13)
InChIKeyQCBNQVOJVMYDOM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367632
2-bromo-3-(2,2-dimethylpropylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370787
2-bromo-5-fluoro-3-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65397999
2-bromo-5-fluoro-3-(pentylcarbamoyl)benzenesulfonyl chloride
CID 65368998
2-bromo-3-(cyclopentylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65367953
2-bromo-3-(1-cyclopropylethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370561
2-bromo-3-(cyclobutylmethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370737
2-bromo-5-fluoro-3-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65366904
2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373274
2-bromo-5-fluoro-3-(piperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367099
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367201
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride (CID 65367980) is 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride is CNC(=O)c1cc(F)cc(S(=O)(=O)Cl)c1Br.
What is the InChIKey of 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is QCBNQVOJVMYDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFNO3S/c1-12-8(13)5-2-4(11)3-6(7(5)9)16(10,14)15/h2-3H,1H3,(H,12,13).
What are the key properties of 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride?
2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 330.56 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-3-(methylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65367980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).