4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride

C11H12Cl2FNO4S — CID 65371948

IUPAC4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
SMILESCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Cl
InChIInChI=1S/C11H12Cl2FNO4S/c1-15(3-4-19-2)11(16)7-5-10(20(13,17)18)9(14)6-8(7)12/h5-6H,3-4H2,1-2H3
InChIKeyGELUDODHMFBDEN-UHFFFAOYSA-N
MW344.19 g/mol
LogP2.12
Rot. Bonds5

About 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride

4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65371948) has the molecular formula C11H12Cl2FNO4S and a molecular weight of 344.19 g/mol. Its IUPAC name is 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65371948
Molecular FormulaC11H12Cl2FNO4S
Molecular Weight344.19 g/mol
Exact Mass342.98
IUPAC Name4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
SMILESCOCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Cl
InChIInChI=1S/C11H12Cl2FNO4S/c1-15(3-4-19-2)11(16)7-5-10(20(13,17)18)9(14)6-8(7)12/h5-6H,3-4H2,1-2H3
InChIKeyGELUDODHMFBDEN-UHFFFAOYSA-N
XLogP2.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370605
4-chloro-2-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65371341
5-[butan-2-yl(methyl)carbamoyl]-4-chloro-2-fluorobenzenesulfonyl chloride
CID 65371297
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387832
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988
N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373674
4-chloro-5-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65370403
5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370990
2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65371674
2-chloro-4-fluoro-5-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65372490
tert-butyl 2-chloro-5-chlorosulfonyl-4-fluorobenzoate
CID 65396935
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride (CID 65371948) is 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride is COCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(F)cc1Cl.
What is the InChIKey of 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is GELUDODHMFBDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO4S/c1-15(3-4-19-2)11(16)7-5-10(20(13,17)18)9(14)6-8(7)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride?
4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 344.19 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65371948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).