N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide

C11H15NO4S2 — CID 3152344

IUPACN-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H15NO4S2/c1-9-2-4-10(5-3-9)12-18(15,16)11-6-7-17(13,14)8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyJCQDYEUAEHGXRI-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.92
Rot. Bonds3

About N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide

N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 3152344) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID3152344
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC NameN-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H15NO4S2/c1-9-2-4-10(5-3-9)12-18(15,16)11-6-7-17(13,14)8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyJCQDYEUAEHGXRI-UHFFFAOYSA-N
XLogP0.92
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide (CID 3152344) is N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide is Cc1ccc(NS(=O)(=O)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is JCQDYEUAEHGXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-9-2-4-10(5-3-9)12-18(15,16)11-6-7-17(13,14)8-11/h2-5,11-12H,6-8H2,1H3.
What are the key properties of N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide?
N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 3152344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).