N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide

C11H15NO4S2 — CID 3152342

IUPACN-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO4S2/c1-12(10-7-8-17(13,14)9-10)18(15,16)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyFLKANEDNYWKHTJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.49
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide (PubChem CID 3152342) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
PubChem CID3152342
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO4S2/c1-12(10-7-8-17(13,14)9-10)18(15,16)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyFLKANEDNYWKHTJ-UHFFFAOYSA-N
XLogP0.49
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide (CID 3152342) is N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide is CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
The InChIKey is FLKANEDNYWKHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-12(10-7-8-17(13,14)9-10)18(15,16)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide has a molecular weight of 289.38 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 3152342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).