(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide

C11H15NO4S2 — CID 40548256

IUPAC(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO4S2/c1-9-4-2-3-5-11(9)12-18(15,16)10-6-7-17(13,14)8-10/h2-5,10,12H,6-8H2,1H3/t10-/m1/s1
InChIKeyLXBREDCZHTTXTG-SNVBAGLBSA-N
MW289.38 g/mol
LogP0.92
Rot. Bonds3

About (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide

(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 40548256) has the molecular formula C11H15NO4S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID40548256
Molecular FormulaC11H15NO4S2
Molecular Weight289.38 g/mol
Exact Mass289.04
IUPAC Name(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H15NO4S2/c1-9-4-2-3-5-11(9)12-18(15,16)10-6-7-17(13,14)8-10/h2-5,10,12H,6-8H2,1H3/t10-/m1/s1
InChIKeyLXBREDCZHTTXTG-SNVBAGLBSA-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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Related Compounds

N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
N-(2-iodophenyl)-1,1-dioxothiane-4-sulfonamide
CID 55033017
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103098191
1,1-dioxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiolane-3-sulfonamide
CID 80547650
N-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827654
2-[(1,1-dioxothian-4-yl)sulfonylamino]benzoic acid
CID 62084938
N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443066
(3R)-N-benzyl-1,1-dioxothiolane-3-sulfonamide
CID 7068858
N-(3-bromo-2-hydroxyphenyl)-1,1-dioxothiane-4-sulfonamide
CID 81496023
N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103777911
sodium;hydride;N-(2-methylphenyl)methanesulfonamide
CID 173445438

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide (CID 40548256) is (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide is Cc1ccccc1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is LXBREDCZHTTXTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO4S2/c1-9-4-2-3-5-11(9)12-18(15,16)10-6-7-17(13,14)8-10/h2-5,10,12H,6-8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide?
(3R)-N-(2-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 (3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 40548256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).