2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride

C11H12ClF2NO4S — CID 65370605

IUPAC2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
SMILESCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C11H12ClF2NO4S/c1-15(3-4-19-2)11(16)7-5-10(20(12,17)18)9(14)6-8(7)13/h5-6H,3-4H2,1-2H3
InChIKeyHAWPUNAMYXKJGF-UHFFFAOYSA-N
MW327.74 g/mol
LogP1.61
Rot. Bonds5

About 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride

2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65370605) has the molecular formula C11H12ClF2NO4S and a molecular weight of 327.74 g/mol. Its IUPAC name is 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65370605
Molecular FormulaC11H12ClF2NO4S
Molecular Weight327.74 g/mol
Exact Mass327.01
IUPAC Name2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
SMILESCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F
InChIInChI=1S/C11H12ClF2NO4S/c1-15(3-4-19-2)11(16)7-5-10(20(12,17)18)9(14)6-8(7)13/h5-6H,3-4H2,1-2H3
InChIKeyHAWPUNAMYXKJGF-UHFFFAOYSA-N
XLogP1.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65371948
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988
2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65371674
2,4-difluoro-5-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]benzenesulfonyl chloride
CID 65398593
2,4-difluoro-5-[propan-2-yl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371660
5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370990
5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65370918
5-(2,2-dimethylbutylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 103465541
3-fluoro-5-[3-methoxypropyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65397034
N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
CID 47468920
4-bromo-2-fluoro-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368260
4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride (CID 65370605) is 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride is COCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is HAWPUNAMYXKJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO4S/c1-15(3-4-19-2)11(16)7-5-10(20(12,17)18)9(14)6-8(7)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride?
2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 327.74 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65370605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).