3-acetamido-4-fluorobenzenesulfonyl chloride

C8H7ClFNO3S — CID 22729868

IUPAC3-acetamido-4-fluorobenzenesulfonyl chloride
SMILESCC(=O)Nc1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H7ClFNO3S/c1-5(12)11-8-4-6(15(9,13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)
InChIKeyQYHTYCODTAPJMY-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.71
Rot. Bonds2

About 3-acetamido-4-fluorobenzenesulfonyl chloride

3-acetamido-4-fluorobenzenesulfonyl chloride (PubChem CID 22729868) has the molecular formula C8H7ClFNO3S and a molecular weight of 251.67 g/mol. Its IUPAC name is 3-acetamido-4-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3-acetamido-4-fluorobenzenesulfonyl chloride
PubChem CID22729868
Molecular FormulaC8H7ClFNO3S
Molecular Weight251.67 g/mol
Exact Mass250.98
IUPAC Name3-acetamido-4-fluorobenzenesulfonyl chloride
SMILESCC(=O)Nc1cc(S(=O)(=O)Cl)ccc1F
InChIInChI=1S/C8H7ClFNO3S/c1-5(12)11-8-4-6(15(9,13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)
InChIKeyQYHTYCODTAPJMY-UHFFFAOYSA-N
XLogP1.71
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-fluorobenzenesulfonyl chloride?
The IUPAC name of 3-acetamido-4-fluorobenzenesulfonyl chloride (CID 22729868) is 3-acetamido-4-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3-acetamido-4-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3-acetamido-4-fluorobenzenesulfonyl chloride is CC(=O)Nc1cc(S(=O)(=O)Cl)ccc1F.
What is the InChIKey of 3-acetamido-4-fluorobenzenesulfonyl chloride?
The InChIKey is QYHTYCODTAPJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO3S/c1-5(12)11-8-4-6(15(9,13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12).
What are the key properties of 3-acetamido-4-fluorobenzenesulfonyl chloride?
3-acetamido-4-fluorobenzenesulfonyl chloride has a molecular weight of 251.67 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 22729868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).