2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide

C13H20N2O4S2 — CID 43615439

IUPAC2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C13H20N2O4S2/c1-2-14-21(18,19)13-6-4-3-5-12(13)15-11-7-9-20(16,17)10-8-11/h3-6,11,14-15H,2,7-10H2,1H3
InChIKeyNJIMATARMTZEOB-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.97
Rot. Bonds5

About 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide

2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide (PubChem CID 43615439) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide
PubChem CID43615439
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C13H20N2O4S2/c1-2-14-21(18,19)13-6-4-3-5-12(13)15-11-7-9-20(16,17)10-8-11/h3-6,11,14-15H,2,7-10H2,1H3
InChIKeyNJIMATARMTZEOB-UHFFFAOYSA-N
XLogP0.97
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide 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

N-ethyl-2-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 43454387
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
CID 43454539
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
CID 62162999
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
N-ethyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695395
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-cyclopropyl-2-[2-(ethylsulfamoyl)anilino]acetamide
CID 43568435
2-[2-(ethylsulfamoyl)anilino]cyclopentane-1-carboxylic acid
CID 64815678
N-(2-chlorophenyl)-1,1-dioxothian-4-amine
CID 43511535

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide (CID 43615439) is 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1NC1CCS(=O)(=O)CC1.
What is the InChIKey of 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide?
The InChIKey is NJIMATARMTZEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-2-14-21(18,19)13-6-4-3-5-12(13)15-11-7-9-20(16,17)10-8-11/h3-6,11,14-15H,2,7-10H2,1H3.
What are the key properties of 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide?
2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide has a molecular weight of 332.45 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43615439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).