N-ethyl-2-(4-fluorophenyl)sulfonylacetamide

C10H12FNO3S — CID 60777161

IUPACN-ethyl-2-(4-fluorophenyl)sulfonylacetamide
SMILESCCNC(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c1-2-12-10(13)7-16(14,15)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyVNPMUVSPWSCSJY-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.74
Rot. Bonds4

About N-ethyl-2-(4-fluorophenyl)sulfonylacetamide

N-ethyl-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 60777161) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID60777161
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC NameN-ethyl-2-(4-fluorophenyl)sulfonylacetamide
SMILESCCNC(=O)CS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c1-2-12-10(13)7-16(14,15)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13)
InChIKeyVNPMUVSPWSCSJY-UHFFFAOYSA-N
XLogP0.74
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-(4-fluorophenyl)sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-(Phenylthio)ethyl)acetamide
CID 13250272
N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
CID 4339369
4-(Phenylsulfonyl)-2-azetidinone
CID 4589027
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
2-(benzenesulfonyl)-N-propan-2-ylacetamide
CID 3324748
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
1-(benzenesulfonyl)-N-propylcyclopent-3-ene-1-carboxamide
CID 24816510
N-cyclohexyl-2-(phenylsulfonyl)acetamide
CID 1264349
N-cyclohexyl-3-(phenylsulfonyl)propanamide
CID 6458857
N-cyclopentyl-3-(phenylsulfonyl)propanamide
CID 6459253
N-[2-(benzenesulfonyl)ethyl]propan-1-amine
CID 57300593
2-[(4-fluorophenyl)sulfanyl]-N-[2-(phenylsulfanyl)ethyl]acetamide
CID 2765499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)sulfonylacetamide (CID 60777161) is N-ethyl-2-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)sulfonylacetamide is CCNC(=O)CS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is VNPMUVSPWSCSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-2-12-10(13)7-16(14,15)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H,12,13).
What are the key properties of N-ethyl-2-(4-fluorophenyl)sulfonylacetamide?
N-ethyl-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 245.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 60777161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).