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

C10H10FN3O2S2 — CID 62056645

IUPAC2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESNc1c(F)cccc1S(=O)(=O)NCc1nccs1
InChIInChI=1S/C10H10FN3O2S2/c11-7-2-1-3-8(10(7)12)18(15,16)14-6-9-13-4-5-17-9/h1-5,14H,6,12H2
InChIKeyAZBGIJQUQUSQCA-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.34
Rot. Bonds4

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

2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (PubChem CID 62056645) has the molecular formula C10H10FN3O2S2 and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
PubChem CID62056645
Molecular FormulaC10H10FN3O2S2
Molecular Weight287.34 g/mol
Exact Mass287.02
IUPAC Name2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
SMILESNc1c(F)cccc1S(=O)(=O)NCc1nccs1
InChIInChI=1S/C10H10FN3O2S2/c11-7-2-1-3-8(10(7)12)18(15,16)14-6-9-13-4-5-17-9/h1-5,14H,6,12H2
InChIKeyAZBGIJQUQUSQCA-UHFFFAOYSA-N
XLogP1.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3-fluoro-N-(1,3-thiazol-2-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

2-amino-N-benzyl-3-fluorobenzenesulfonamide
CID 62058430
4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
CID 115944450
2-(aminomethyl)-5-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 102920624
5-amino-N-(1,3-thiazol-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61284223
2,6-difluoro-3-(1,3-thiazol-2-ylmethylsulfamoyl)benzoic acid
CID 61285438
methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
CID 103833481
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238706
4-chloro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440454
3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242054
2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657832
2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110738865
5-amino-4-bromo-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 114625413

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide (CID 62056645) is 2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is Nc1c(F)cccc1S(=O)(=O)NCc1nccs1.
What is the InChIKey of 2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is AZBGIJQUQUSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S2/c11-7-2-1-3-8(10(7)12)18(15,16)14-6-9-13-4-5-17-9/h1-5,14H,6,12H2.
What are the key properties of 2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide?
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 62056645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).