2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide

C12H13N3O3S2 — CID 2998088

IUPAC2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3O3S2/c1-9(11(16)14-12-13-7-8-19-12)15-20(17,18)10-5-3-2-4-6-10/h2-9,15H,1H3,(H,13,14,16)
InChIKeyVKHXWSLKEIKURW-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.45
Rot. Bonds5

About 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide

2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2998088) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2998088
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Name2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1
InChIInChI=1S/C12H13N3O3S2/c1-9(11(16)14-12-13-7-8-19-12)15-20(17,18)10-5-3-2-4-6-10/h2-9,15H,1H3,(H,13,14,16)
InChIKeyVKHXWSLKEIKURW-UHFFFAOYSA-N
XLogP1.45
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide (CID 2998088) is 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide is CC(NS(=O)(=O)c1ccccc1)C(=O)Nc1nccs1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VKHXWSLKEIKURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-9(11(16)14-12-13-7-8-19-12)15-20(17,18)10-5-3-2-4-6-10/h2-9,15H,1H3,(H,13,14,16).
What are the key properties of 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide?
2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 311.39 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2998088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).