N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide

C17H19NO4S2 — CID 154842874

IUPACN-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CS(=O)(=O)Cc3ccccc32)cc1
InChIInChI=1S/C17H19NO4S2/c1-2-13-7-9-15(10-8-13)24(21,22)18-17-12-23(19,20)11-14-5-3-4-6-16(14)17/h3-10,17-18H,2,11-12H2,1H3
InChIKeyUHSFHAAATLAIEY-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.20
Rot. Bonds4

About N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide

N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide (PubChem CID 154842874) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide
PubChem CID154842874
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CS(=O)(=O)Cc3ccccc32)cc1
InChIInChI=1S/C17H19NO4S2/c1-2-13-7-9-15(10-8-13)24(21,22)18-17-12-23(19,20)11-14-5-3-4-6-16(14)17/h3-10,17-18H,2,11-12H2,1H3
InChIKeyUHSFHAAATLAIEY-UHFFFAOYSA-N
XLogP2.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-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-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide (CID 154842874) is N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CS(=O)(=O)Cc3ccccc32)cc1.
What is the InChIKey of N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide?
The InChIKey is UHSFHAAATLAIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-2-13-7-9-15(10-8-13)24(21,22)18-17-12-23(19,20)11-14-5-3-4-6-16(14)17/h3-10,17-18H,2,11-12H2,1H3.
What are the key properties of N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide?
N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide has a molecular weight of 365.48 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-yl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 154842874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).