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

C12H14ClF2NO4S — CID 65370803

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

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

3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride (PubChem CID 65370803) has the molecular formula C12H14ClF2NO4S and a molecular weight of 341.76 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride
PubChem CID65370803
Molecular FormulaC12H14ClF2NO4S
Molecular Weight341.76 g/mol
Exact Mass341.03
IUPAC Name3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride
SMILESCCN(CCOC)C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C12H14ClF2NO4S/c1-3-16(4-5-20-2)12(17)9-6-8(14)7-10(11(9)15)21(13,18)19/h6-7H,3-5H2,1-2H3
InChIKeySBLSKQPIZMHSHP-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]-4,5-difluorobenzenesulfonyl chloride
CID 65372146
3-[ethyl(propyl)carbamoyl]-5-fluoro-2-methylbenzenesulfonyl chloride
CID 65371849
5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 112676744
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387832
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256
2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367632
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
2,5-difluoro-3-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368777
2,5-difluoro-3-(3-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 106331490
5-bromo-3-[cyclopropylmethyl(ethyl)carbamoyl]-2-fluorobenzenesulfonyl chloride
CID 65396485

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride?
The IUPAC name of 3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride (CID 65370803) is 3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride?
The canonical SMILES for 3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride is CCN(CCOC)C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride?
The InChIKey is SBLSKQPIZMHSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO4S/c1-3-16(4-5-20-2)12(17)9-6-8(14)7-10(11(9)15)21(13,18)19/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-difluorobenzenesulfonyl chloride?
3-[ethyl(2-methoxyethyl)carbamoyl]-2,5-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]-2,5-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 65370803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).