2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide

C13H15FN2O3S — CID 71781613

IUPAC2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
SMILESCn1cccc1C(O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O3S/c1-16-8-4-6-11(16)12(17)9-15-20(18,19)13-7-3-2-5-10(13)14/h2-8,12,15,17H,9H2,1H3
InChIKeySBXJFPLROQCWTF-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.18
Rot. Bonds5

About 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide

2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide (PubChem CID 71781613) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
PubChem CID71781613
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
SMILESCn1cccc1C(O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O3S/c1-16-8-4-6-11(16)12(17)9-15-20(18,19)13-7-3-2-5-10(13)14/h2-8,12,15,17H,9H2,1H3
InChIKeySBXJFPLROQCWTF-UHFFFAOYSA-N
XLogP1.18
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10221162, Example 345.0
CID 122701920
[1-(4-Methylphenyl)sulfonylpyrrol-2-yl]methanol
CID 5096348
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-hydroxy-6-methyl-3,4,5,6-tetrahydro-2H-pyrrolo[2,3-f][1,2]thiazepine 1,1-dioxide
CID 9910903
2-amino-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-ol
CID 16767868
N-(2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl)-1-phenylmethanesulfonamide
CID 71781612
4-fluoro-N-[2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl]-2-methylbenzene-1-sulfonamide
CID 71781615
3-chloro-N-(2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl)-2-methylbenzenesulfonamide
CID 71781617
2-bromo-N-(2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl)benzenesulfonamide
CID 71781627
2-(2-Fluoro-1-hydroxypropyl)pyridine-3-sulfonamide
CID 101227610
(S)-2-(o-fluorophenylsulfonylamino)-1-(1-methyl-2-pyrrolyl)-1-ethanol
CID 95982536
1-(1-Tosyl-1H-pyrrol-2-yl)-3-buten-1-ol
CID 14954429
3-chloro-4-fluoro-N-(2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl)benzenesulfonamide
CID 71781618

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide (CID 71781613) is 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide is Cn1cccc1C(O)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is SBXJFPLROQCWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c1-16-8-4-6-11(16)12(17)9-15-20(18,19)13-7-3-2-5-10(13)14/h2-8,12,15,17H,9H2,1H3.
What are the key properties of 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide?
2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71781613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).