4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

C11H14N2O3S2 — CID 75457616

IUPAC4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CNC(=O)C2)cc1
InChIInChI=1S/C11H14N2O3S2/c1-17-9-2-4-10(5-3-9)18(15,16)13-8-6-11(14)12-7-8/h2-5,8,13H,6-7H2,1H3,(H,12,14)
InChIKeyGFLMOAMBBXSMPR-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.58
Rot. Bonds4

About 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide

4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (PubChem CID 75457616) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
PubChem CID75457616
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CNC(=O)C2)cc1
InChIInChI=1S/C11H14N2O3S2/c1-17-9-2-4-10(5-3-9)18(15,16)13-8-6-11(14)12-7-8/h2-5,8,13H,6-7H2,1H3,(H,12,14)
InChIKeyGFLMOAMBBXSMPR-UHFFFAOYSA-N
XLogP0.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide (CID 75457616) is 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is CSc1ccc(S(=O)(=O)NC2CNC(=O)C2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is GFLMOAMBBXSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-17-9-2-4-10(5-3-9)18(15,16)13-8-6-11(14)12-7-8/h2-5,8,13H,6-7H2,1H3,(H,12,14).
What are the key properties of 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide?
4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 286.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 75457616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).