N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide

C11H16FNO3S — CID 54879200

IUPACN-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCN(CCO)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FNO3S/c1-2-13(7-8-14)17(15,16)9-10-3-5-11(12)6-4-10/h3-6,14H,2,7-9H2,1H3
InChIKeyPXXLOZYRLTWBMI-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.97
Rot. Bonds6

About N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide

N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide (PubChem CID 54879200) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
PubChem CID54879200
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC NameN-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide
SMILESCCN(CCO)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FNO3S/c1-2-13(7-8-14)17(15,16)9-10-3-5-11(12)6-4-10/h3-6,14H,2,7-9H2,1H3
InChIKeyPXXLOZYRLTWBMI-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The IUPAC name of N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide (CID 54879200) is N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide is CCN(CCO)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
The InChIKey is PXXLOZYRLTWBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-2-13(7-8-14)17(15,16)9-10-3-5-11(12)6-4-10/h3-6,14H,2,7-9H2,1H3.
What are the key properties of N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide?
N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluorophenyl)-N-(2-hydroxyethyl)methanesulfonamide is sourced from PubChem (CID 54879200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).