2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide

C16H16FNO4S — CID 71788933

IUPAC2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H16FNO4S/c17-13-6-2-4-8-15(13)23(20,21)18-11-16(19)9-10-22-14-7-3-1-5-12(14)16/h1-8,18-19H,9-11H2
InChIKeyLJHWIBWMAGRTOU-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.77
Rot. Bonds4

About 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide

2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide (PubChem CID 71788933) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
PubChem CID71788933
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOc2ccccc21)c1ccccc1F
InChIInChI=1S/C16H16FNO4S/c17-13-6-2-4-8-15(13)23(20,21)18-11-16(19)9-10-22-14-7-3-1-5-12(14)16/h1-8,18-19H,9-11H2
InChIKeyLJHWIBWMAGRTOU-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide (CID 71788933) is 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCOc2ccccc21)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
The InChIKey is LJHWIBWMAGRTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c17-13-6-2-4-8-15(13)23(20,21)18-11-16(19)9-10-22-14-7-3-1-5-12(14)16/h1-8,18-19H,9-11H2.
What are the key properties of 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide has a molecular weight of 337.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71788933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).