N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide

C10H12FNO3S — CID 15746540

IUPACN-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide
SMILESCC(=O)N(CCF)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12FNO3S/c1-9(13)12(8-7-11)16(14,15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyDJCJJKYADRMFPO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.19
Rot. Bonds4

About N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide

N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide (PubChem CID 15746540) has the molecular formula C10H12FNO3S and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide
PubChem CID15746540
Molecular FormulaC10H12FNO3S
Molecular Weight245.28 g/mol
Exact Mass245.05
IUPAC NameN-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide
SMILESCC(=O)N(CCF)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H12FNO3S/c1-9(13)12(8-7-11)16(14,15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyDJCJJKYADRMFPO-UHFFFAOYSA-N
XLogP1.19
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide (CID 15746540) is N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide is CC(=O)N(CCF)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide?
The InChIKey is DJCJJKYADRMFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-9(13)12(8-7-11)16(14,15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide?
N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(2-fluoroethyl)acetamide is sourced from PubChem (CID 15746540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).