N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide

C12H17NO4S2 — CID 18573649

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO4S2/c1-2-13(11-8-9-18(14,15)10-11)19(16,17)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyXJHCQYJBANPOJO-UHFFFAOYSA-N
MW303.40 g/mol
LogP0.88
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide (PubChem CID 18573649) has the molecular formula C12H17NO4S2 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
PubChem CID18573649
Molecular FormulaC12H17NO4S2
Molecular Weight303.40 g/mol
Exact Mass303.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide
SMILESCCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO4S2/c1-2-13(11-8-9-18(14,15)10-11)19(16,17)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyXJHCQYJBANPOJO-UHFFFAOYSA-N
XLogP0.88
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide (CID 18573649) is N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide is CCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide?
The InChIKey is XJHCQYJBANPOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c1-2-13(11-8-9-18(14,15)10-11)19(16,17)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide has a molecular weight of 303.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 18573649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).