N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide

C18H19NO4S2 — CID 2966927

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(N(C2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S2/c1-2-15-8-10-16(11-9-15)19(17-12-13-24(20,21)14-17)25(22,23)18-6-4-3-5-7-18/h3-13,17H,2,14H2,1H3
InChIKeyKXAKABIBRZJVRC-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.76
Rot. Bonds5

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide (PubChem CID 2966927) has the molecular formula C18H19NO4S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide
PubChem CID2966927
Molecular FormulaC18H19NO4S2
Molecular Weight377.49 g/mol
Exact Mass377.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(N(C2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO4S2/c1-2-15-8-10-16(11-9-15)19(17-12-13-24(20,21)14-17)25(22,23)18-6-4-3-5-7-18/h3-13,17H,2,14H2,1H3
InChIKeyKXAKABIBRZJVRC-UHFFFAOYSA-N
XLogP2.76
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide 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-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide (CID 2966927) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide is CCc1ccc(N(C2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide?
The InChIKey is KXAKABIBRZJVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S2/c1-2-15-8-10-16(11-9-15)19(17-12-13-24(20,21)14-17)25(22,23)18-6-4-3-5-7-18/h3-13,17H,2,14H2,1H3.
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 2966927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).