N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide

C11H16FNO3S — CID 23857041

IUPACN,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(CO)c1
InChIInChI=1S/C11H16FNO3S/c1-3-13(4-2)17(15,16)10-5-6-11(12)9(7-10)8-14/h5-7,14H,3-4,8H2,1-2H3
InChIKeyQGRXYBGGLWVNEM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.35
Rot. Bonds5

About N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide

N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide (PubChem CID 23857041) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
PubChem CID23857041
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC NameN,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(CO)c1
InChIInChI=1S/C11H16FNO3S/c1-3-13(4-2)17(15,16)10-5-6-11(12)9(7-10)8-14/h5-7,14H,3-4,8H2,1-2H3
InChIKeyQGRXYBGGLWVNEM-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide (CID 23857041) is N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(F)c(CO)c1.
What is the InChIKey of N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The InChIKey is QGRXYBGGLWVNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-3-13(4-2)17(15,16)10-5-6-11(12)9(7-10)8-14/h5-7,14H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluoro-3-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 23857041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).