4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide

C14H14FNO3S — CID 18629018

IUPAC4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccc(CO)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-16(13-6-2-11(10-17)3-7-13)20(18,19)14-8-4-12(15)5-9-14/h2-9,17H,10H2,1H3
InChIKeyLYAKUVLVIUQZAG-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.14
Rot. Bonds4

About 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide

4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 18629018) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID18629018
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1ccc(CO)cc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO3S/c1-16(13-6-2-11(10-17)3-7-13)20(18,19)14-8-4-12(15)5-9-14/h2-9,17H,10H2,1H3
InChIKeyLYAKUVLVIUQZAG-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide (CID 18629018) is 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide is CN(c1ccc(CO)cc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is LYAKUVLVIUQZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-16(13-6-2-11(10-17)3-7-13)20(18,19)14-8-4-12(15)5-9-14/h2-9,17H,10H2,1H3.
What are the key properties of 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide?
4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(hydroxymethyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 18629018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).