5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

C13H14FNO3S2 — CID 102919711

IUPAC5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C13H14FNO3S2/c1-15(7-10-4-5-19-9-10)20(17,18)13-6-12(14)3-2-11(13)8-16/h2-6,9,16H,7-8H2,1H3
InChIKeyNYRRQOMZLPGEPR-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.20
Rot. Bonds5

About 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide

5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (PubChem CID 102919711) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
PubChem CID102919711
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC Name5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccsc1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C13H14FNO3S2/c1-15(7-10-4-5-19-9-10)20(17,18)13-6-12(14)3-2-11(13)8-16/h2-6,9,16H,7-8H2,1H3
InChIKeyNYRRQOMZLPGEPR-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.20
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-(thiophen-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide (CID 102919711) is 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide is CN(Cc1ccsc1)S(=O)(=O)c1cc(F)ccc1CO.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
The InChIKey is NYRRQOMZLPGEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-15(7-10-4-5-19-9-10)20(17,18)13-6-12(14)3-2-11(13)8-16/h2-6,9,16H,7-8H2,1H3.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide?
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.20, 5 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-(thiophen-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 102919711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).