N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide

C12H18N2O4S2 — CID 62162999

IUPACN-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O4S2/c1-2-13-11-5-3-4-6-12(11)20(17,18)14-10-7-8-19(15,16)9-10/h3-6,10,13-14H,2,7-9H2,1H3
InChIKeyRVCANNQQFJIZNE-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.58
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide (PubChem CID 62162999) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
PubChem CID62162999
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide
SMILESCCNc1ccccc1S(=O)(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O4S2/c1-2-13-11-5-3-4-6-12(11)20(17,18)14-10-7-8-19(15,16)9-10/h3-6,10,13-14H,2,7-9H2,1H3
InChIKeyRVCANNQQFJIZNE-UHFFFAOYSA-N
XLogP0.58
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)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

N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
CID 43454796
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303063
N-(1,1-dioxothian-3-yl)-2-hydrazinylbenzenesulfonamide
CID 63923756
2-[(1,1-dioxothiolan-3-yl)amino]-N-propylbenzenesulfonamide
CID 43454539
2-[(1,1-dioxothian-4-yl)amino]-N-ethylbenzenesulfonamide
CID 43615439
2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62146904
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
N-(3,3-dimethylcyclopentyl)-2-(ethylamino)benzenesulfonamide
CID 114551008
2-(3-aminoprop-1-ynyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 60845506
N-(1,1-dioxothiolan-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62162827
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 43258077

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide (CID 62162999) is N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide is CCNc1ccccc1S(=O)(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide?
The InChIKey is RVCANNQQFJIZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-2-13-11-5-3-4-6-12(11)20(17,18)14-10-7-8-19(15,16)9-10/h3-6,10,13-14H,2,7-9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 62162999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).