N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H16FNO3S2 — CID 102919767

IUPACN-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C14H16FNO3S2/c1-2-16(9-13-4-3-7-20-13)21(18,19)14-8-12(15)6-5-11(14)10-17/h3-8,17H,2,9-10H2,1H3
InChIKeyAPDXGMISOSNEAH-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.59
Rot. Bonds6

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

N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 102919767) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID102919767
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC NameN-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCCN(Cc1cccs1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C14H16FNO3S2/c1-2-16(9-13-4-3-7-20-13)21(18,19)14-8-12(15)6-5-11(14)10-17/h3-8,17H,2,9-10H2,1H3
InChIKeyAPDXGMISOSNEAH-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 102919767) is N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is CCN(Cc1cccs1)S(=O)(=O)c1cc(F)ccc1CO.
What is the InChIKey of N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is APDXGMISOSNEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-2-16(9-13-4-3-7-20-13)21(18,19)14-8-12(15)6-5-11(14)10-17/h3-8,17H,2,9-10H2,1H3.
What are the key properties of N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-(hydroxymethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 102919767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).