2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide

C14H14FNO3S — CID 53364688

IUPAC2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCO)cc1)c1ccccc1F
InChIInChI=1S/C14H14FNO3S/c15-13-3-1-2-4-14(13)20(18,19)16-12-7-5-11(6-8-12)9-10-17/h1-8,16-17H,9-10H2
InChIKeyCKFFHTNNYRPSTL-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.16
Rot. Bonds5

About 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide

2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide (PubChem CID 53364688) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
PubChem CID53364688
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCO)cc1)c1ccccc1F
InChIInChI=1S/C14H14FNO3S/c15-13-3-1-2-4-14(13)20(18,19)16-12-7-5-11(6-8-12)9-10-17/h1-8,16-17H,9-10H2
InChIKeyCKFFHTNNYRPSTL-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide (CID 53364688) is 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(CCO)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
The InChIKey is CKFFHTNNYRPSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-13-3-1-2-4-14(13)20(18,19)16-12-7-5-11(6-8-12)9-10-17/h1-8,16-17H,9-10H2.
What are the key properties of 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide?
2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide has a molecular weight of 295.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 53364688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).