5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C14H16FNO3S2 — CID 102919907

IUPAC5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C14H16FNO3S2/c1-16(7-6-13-3-2-8-20-13)21(18,19)14-9-12(15)5-4-11(14)10-17/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyDYVFNIKGLAZZGA-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.24
Rot. Bonds6

About 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 102919907) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID102919907
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1cccs1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C14H16FNO3S2/c1-16(7-6-13-3-2-8-20-13)21(18,19)14-9-12(15)5-4-11(14)10-17/h2-5,8-9,17H,6-7,10H2,1H3
InChIKeyDYVFNIKGLAZZGA-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 102919907) is 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CN(CCc1cccs1)S(=O)(=O)c1cc(F)ccc1CO.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is DYVFNIKGLAZZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-16(7-6-13-3-2-8-20-13)21(18,19)14-9-12(15)5-4-11(14)10-17/h2-5,8-9,17H,6-7,10H2,1H3.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 102919907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).