4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide

C12H13NO5S — CID 29288988

IUPAC4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C12H13NO5S/c1-8(14)9-2-4-10(5-3-9)19(16,17)13-11-6-7-18-12(11)15/h2-5,11,13H,6-7H2,1H3/t11-/m0/s1
InChIKeyRKPNSCCCCHWMSP-NSHDSACASA-N
MW283.31 g/mol
LogP0.48
Rot. Bonds4

About 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide

4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide (PubChem CID 29288988) has the molecular formula C12H13NO5S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
PubChem CID29288988
Molecular FormulaC12H13NO5S
Molecular Weight283.31 g/mol
Exact Mass283.05
IUPAC Name4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C12H13NO5S/c1-8(14)9-2-4-10(5-3-9)19(16,17)13-11-6-7-18-12(11)15/h2-5,11,13H,6-7H2,1H3/t11-/m0/s1
InChIKeyRKPNSCCCCHWMSP-NSHDSACASA-N
XLogP0.48
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide (CID 29288988) is 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCOC2=O)cc1.
What is the InChIKey of 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
The InChIKey is RKPNSCCCCHWMSP-NSHDSACASA-N. The full InChI is InChI=1S/C12H13NO5S/c1-8(14)9-2-4-10(5-3-9)19(16,17)13-11-6-7-18-12(11)15/h2-5,11,13H,6-7H2,1H3/t11-/m0/s1.
What are the key properties of 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide?
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide has a molecular weight of 283.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 29288988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).