4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide

C12H15NO4S — CID 11129343

IUPAC4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2COC(=O)[C@H]2C)cc1
InChIInChI=1S/C12H15NO4S/c1-8-3-5-10(6-4-8)18(15,16)13-11-7-17-12(14)9(11)2/h3-6,9,11,13H,7H2,1-2H3/t9-,11+/m0/s1
InChIKeyCJTPSKOUCZSROI-GXSJLCMTSA-N
MW269.32 g/mol
LogP0.83
Rot. Bonds3

About 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide

4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide (PubChem CID 11129343) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide
PubChem CID11129343
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2COC(=O)[C@H]2C)cc1
InChIInChI=1S/C12H15NO4S/c1-8-3-5-10(6-4-8)18(15,16)13-11-7-17-12(14)9(11)2/h3-6,9,11,13H,7H2,1-2H3/t9-,11+/m0/s1
InChIKeyCJTPSKOUCZSROI-GXSJLCMTSA-N
XLogP0.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide (CID 11129343) is 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2COC(=O)[C@H]2C)cc1.
What is the InChIKey of 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide?
The InChIKey is CJTPSKOUCZSROI-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-8-3-5-10(6-4-8)18(15,16)13-11-7-17-12(14)9(11)2/h3-6,9,11,13H,7H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide?
4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide has a molecular weight of 269.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3S,4S)-4-methyl-5-oxooxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 11129343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).