3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide

C14H14FNO3S — CID 53219763

IUPAC3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccc(F)c(O)c2)c1
InChIInChI=1S/C14H14FNO3S/c1-16(2)20(18,19)12-5-3-4-10(8-12)11-6-7-13(15)14(17)9-11/h3-9,17H,1-2H3
InChIKeyKLNPTZVJFINZQQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.45
Rot. Bonds3

About 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide

3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 53219763) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide
PubChem CID53219763
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccc(F)c(O)c2)c1
InChIInChI=1S/C14H14FNO3S/c1-16(2)20(18,19)12-5-3-4-10(8-12)11-6-7-13(15)14(17)9-11/h3-9,17H,1-2H3
InChIKeyKLNPTZVJFINZQQ-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide (CID 53219763) is 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2ccc(F)c(O)c2)c1.
What is the InChIKey of 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is KLNPTZVJFINZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-16(2)20(18,19)12-5-3-4-10(8-12)11-6-7-13(15)14(17)9-11/h3-9,17H,1-2H3.
What are the key properties of 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide?
3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-hydroxyphenyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 53219763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).