N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide

C18H16N2O5S — CID 142842363

IUPACN-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCOC1=O
InChIInChI=1S/C18H16N2O5S/c21-17(20-12-13-25-18(20)22)11-8-14-6-9-15(10-7-14)19-26(23,24)16-4-2-1-3-5-16/h1-11,19H,12-13H2/b11-8+
InChIKeyMJLMVLMTOQWGRH-DHZHZOJOSA-N
MW372.40 g/mol
LogP2.48
Rot. Bonds5

About N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide

N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide (PubChem CID 142842363) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide
PubChem CID142842363
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide
SMILESO=C(/C=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCOC1=O
InChIInChI=1S/C18H16N2O5S/c21-17(20-12-13-25-18(20)22)11-8-14-6-9-15(10-7-14)19-26(23,24)16-4-2-1-3-5-16/h1-11,19H,12-13H2/b11-8+
InChIKeyMJLMVLMTOQWGRH-DHZHZOJOSA-N
XLogP2.48
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide (CID 142842363) is N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide is O=C(/C=C/c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCOC1=O.
What is the InChIKey of N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide?
The InChIKey is MJLMVLMTOQWGRH-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-17(20-12-13-25-18(20)22)11-8-14-6-9-15(10-7-14)19-26(23,24)16-4-2-1-3-5-16/h1-11,19H,12-13H2/b11-8+.
What are the key properties of N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide?
N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide has a molecular weight of 372.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 142842363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).