4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride

C10H11ClFNO4S — CID 43210055

IUPAC4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride
SMILESCCOCC(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C10H11ClFNO4S/c1-2-17-6-10(14)13-7-3-4-9(8(12)5-7)18(11,15)16/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyMHWVSINLWCCIIB-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.73
Rot. Bonds5

About 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride

4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride (PubChem CID 43210055) has the molecular formula C10H11ClFNO4S and a molecular weight of 295.72 g/mol. Its IUPAC name is 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride
PubChem CID43210055
Molecular FormulaC10H11ClFNO4S
Molecular Weight295.72 g/mol
Exact Mass295.01
IUPAC Name4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride
SMILESCCOCC(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1
InChIInChI=1S/C10H11ClFNO4S/c1-2-17-6-10(14)13-7-3-4-9(8(12)5-7)18(11,15)16/h3-5H,2,6H2,1H3,(H,13,14)
InChIKeyMHWVSINLWCCIIB-UHFFFAOYSA-N
XLogP1.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 104780485
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide
CID 75502045
4-[(4-chlorobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43111720
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride
CID 43098447
2-fluoro-4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124846
4-[(3-bromobenzoyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43100856
2-bromo-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 112602478
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
CID 28777069
N-(6-bromonaphthalen-2-yl)-2-ethoxyacetamide
CID 81003546
4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride
CID 43097969

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride?
The IUPAC name of 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride (CID 43210055) is 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride is CCOCC(=O)Nc1ccc(S(=O)(=O)Cl)c(F)c1.
What is the InChIKey of 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride?
The InChIKey is MHWVSINLWCCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO4S/c1-2-17-6-10(14)13-7-3-4-9(8(12)5-7)18(11,15)16/h3-5H,2,6H2,1H3,(H,13,14).
What are the key properties of 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride?
4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride has a molecular weight of 295.72 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 43210055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).