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

C11H15NO5S2 — CID 3737827

IUPACN-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H15NO5S2/c1-17-10-4-2-9(3-5-10)12-19(15,16)11-6-7-18(13,14)8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyHPULWQDUYJRIPB-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.62
Rot. Bonds4

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

N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 3737827) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID3737827
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC NameN-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C11H15NO5S2/c1-17-10-4-2-9(3-5-10)12-19(15,16)11-6-7-18(13,14)8-11/h2-5,11-12H,6-8H2,1H3
InChIKeyHPULWQDUYJRIPB-UHFFFAOYSA-N
XLogP0.62
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide (CID 3737827) is N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide is COc1ccc(NS(=O)(=O)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is HPULWQDUYJRIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-17-10-4-2-9(3-5-10)12-19(15,16)11-6-7-18(13,14)8-11/h2-5,11-12H,6-8H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide?
N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 305.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 3737827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).