4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

C14H14FNO3S — CID 90990660

IUPAC4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c15-13-5-7-14(8-6-13)20(18,19)16-9-11-1-3-12(10-17)4-2-11/h1-8,16-17H,9-10H2
InChIKeySFFPTBVIUCDKMU-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.80
Rot. Bonds5

About 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 90990660) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID90990660
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(CO)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c15-13-5-7-14(8-6-13)20(18,19)16-9-11-1-3-12(10-17)4-2-11/h1-8,16-17H,9-10H2
InChIKeySFFPTBVIUCDKMU-UHFFFAOYSA-N
XLogP1.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232758
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 43455024
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 5183211
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
CID 114613015
4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1442161
5-[[(4-fluorophenyl)sulfonylamino]methyl]pyridine-2-carboxylate
CID 131742514

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide (CID 90990660) is 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(CO)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is SFFPTBVIUCDKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-13-5-7-14(8-6-13)20(18,19)16-9-11-1-3-12(10-17)4-2-11/h1-8,16-17H,9-10H2.
What are the key properties of 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide?
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 90990660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).