4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

C14H21NO4S2 — CID 2810896

IUPAC4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H21NO4S2/c1-2-3-4-12-5-7-14(8-6-12)21(18,19)15-13-9-10-20(16,17)11-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyGWRITICBUBBOBK-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.49
Rot. Bonds6

About 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide

4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (PubChem CID 2810896) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
PubChem CID2810896
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H21NO4S2/c1-2-3-4-12-5-7-14(8-6-12)21(18,19)15-13-9-10-20(16,17)11-13/h5-8,13,15H,2-4,9-11H2,1H3
InChIKeyGWRITICBUBBOBK-UHFFFAOYSA-N
XLogP1.49
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-butyl-N-(1,1-dioxothiolan-3-yl)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 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide (CID 2810896) is 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
The InChIKey is GWRITICBUBBOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-2-3-4-12-5-7-14(8-6-12)21(18,19)15-13-9-10-20(16,17)11-13/h5-8,13,15H,2-4,9-11H2,1H3.
What are the key properties of 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide?
4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide has a molecular weight of 331.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 2810896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).