N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide

C10H12FNO3S — CID 94265982

IUPACN-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c1-2-16(14,15)12-7-10(13)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3
InChIKeyDZUIVESLTMELDQ-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.95
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide

N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide (PubChem CID 94265982) has the molecular formula C10H12FNO3S and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide
PubChem CID94265982
Molecular FormulaC10H12FNO3S
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC NameN-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(=O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO3S/c1-2-16(14,15)12-7-10(13)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3
InChIKeyDZUIVESLTMELDQ-UHFFFAOYSA-N
XLogP0.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide (CID 94265982) is N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide is CCS(=O)(=O)NCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide?
The InChIKey is DZUIVESLTMELDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3S/c1-2-16(14,15)12-7-10(13)8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide?
N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide has a molecular weight of 245.27 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxoethyl]ethanesulfonamide is sourced from PubChem (CID 94265982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).