N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

C19H16N2O4S2 — CID 5013420

IUPACN-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESO=C1SCCC1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C19H16N2O4S2/c22-19-15(11-12-26-19)21-27(23,24)18-16(13-7-3-1-4-8-13)25-17(20-18)14-9-5-2-6-10-14/h1-10,15,21H,11-12H2
InChIKeyDRXGBMPFQQSGJO-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.32
Rot. Bonds5

About N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide

N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (PubChem CID 5013420) has the molecular formula C19H16N2O4S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
PubChem CID5013420
Molecular FormulaC19H16N2O4S2
Molecular Weight400.48 g/mol
Exact Mass400.06
IUPAC NameN-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
SMILESO=C1SCCC1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C19H16N2O4S2/c22-19-15(11-12-26-19)21-27(23,24)18-16(13-7-3-1-4-8-13)25-17(20-18)14-9-5-2-6-10-14/h1-10,15,21H,11-12H2
InChIKeyDRXGBMPFQQSGJO-UHFFFAOYSA-N
XLogP3.32
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide (CID 5013420) is N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is O=C1SCCC1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is DRXGBMPFQQSGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S2/c22-19-15(11-12-26-19)21-27(23,24)18-16(13-7-3-1-4-8-13)25-17(20-18)14-9-5-2-6-10-14/h1-10,15,21H,11-12H2.
What are the key properties of N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide?
N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 400.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxothiolan-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 5013420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).