5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide

C11H11FN2O3S2 — CID 102919966

IUPAC5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cncs1)c1cc(F)ccc1CO
InChIInChI=1S/C11H11FN2O3S2/c12-9-2-1-8(6-15)11(3-9)19(16,17)14-5-10-4-13-7-18-10/h1-4,7,14-15H,5-6H2
InChIKeyUWOJYPMMDCIKOY-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.25
Rot. Bonds5

About 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide

5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide (PubChem CID 102919966) has the molecular formula C11H11FN2O3S2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
PubChem CID102919966
Molecular FormulaC11H11FN2O3S2
Molecular Weight302.35 g/mol
Exact Mass302.02
IUPAC Name5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cncs1)c1cc(F)ccc1CO
InChIInChI=1S/C11H11FN2O3S2/c12-9-2-1-8(6-15)11(3-9)19(16,17)14-5-10-4-13-7-18-10/h1-4,7,14-15H,5-6H2
InChIKeyUWOJYPMMDCIKOY-UHFFFAOYSA-N
XLogP1.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)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

5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 102919819
5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102919744
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 116529219
5-fluoro-2-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102919985
2-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 102920830
4-fluoro-2-[(1,3-thiazol-5-ylmethylamino)methyl]phenol
CID 104589056
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 102920624
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 102920800
2-(ethylaminomethyl)-5-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069613
N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920827
N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 102920829
5-fluoro-2-(methylaminomethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030781

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide (CID 102919966) is 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cncs1)c1cc(F)ccc1CO.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is UWOJYPMMDCIKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S2/c12-9-2-1-8(6-15)11(3-9)19(16,17)14-5-10-4-13-7-18-10/h1-4,7,14-15H,5-6H2.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide?
5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 302.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 102919966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).