3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride

C12H14ClF2NO4S — CID 65372146

IUPAC3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
SMILESCCN(CCOC)C(=O)c1cc(S(=O)(=O)Cl)cc(F)c1F
InChIInChI=1S/C12H14ClF2NO4S/c1-3-16(4-5-20-2)12(17)9-6-8(21(13,18)19)7-10(14)11(9)15/h6-7H,3-5H2,1-2H3
InChIKeyLTFFXKCYCXDNSN-UHFFFAOYSA-N
MW341.76 g/mol
LogP2.00
Rot. Bonds6

About 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride

3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride (PubChem CID 65372146) has the molecular formula C12H14ClF2NO4S and a molecular weight of 341.76 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
PubChem CID65372146
Molecular FormulaC12H14ClF2NO4S
Molecular Weight341.76 g/mol
Exact Mass341.03
IUPAC Name3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
SMILESCCN(CCOC)C(=O)c1cc(S(=O)(=O)Cl)cc(F)c1F
InChIInChI=1S/C12H14ClF2NO4S/c1-3-16(4-5-20-2)12(17)9-6-8(21(13,18)19)7-10(14)11(9)15/h6-7H,3-5H2,1-2H3
InChIKeyLTFFXKCYCXDNSN-UHFFFAOYSA-N
XLogP2.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride
CID 65370803
2-methoxyethyl 5-chlorosulfonyl-2,3-difluorobenzoate
CID 65374883
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
3-(2,2-dimethylbutylcarbamoyl)-4,5-difluorobenzenesulfonyl chloride
CID 103465632
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387832
3,4-difluoro-5-[methyl(2-methylbutan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 65398604
1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611287
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
5-chloro-N-ethyl-N-(2-methoxyethyl)-2-(methylamino)benzamide
CID 55046766
5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 112676744
2,3-difluoro-N,N-bis(2-methoxyethyl)benzamide
CID 62661170
5-chlorosulfonyl-2,3-difluorobenzoyl chloride
CID 116739963

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride (CID 65372146) is 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride is CCN(CCOC)C(=O)c1cc(S(=O)(=O)Cl)cc(F)c1F.
What is the InChIKey of 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride?
The InChIKey is LTFFXKCYCXDNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO4S/c1-3-16(4-5-20-2)12(17)9-6-8(21(13,18)19)7-10(14)11(9)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride?
3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride has a molecular weight of 341.76 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 65372146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).