3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide

C16H13N3O4S — CID 51107967

IUPAC3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)c1
InChIInChI=1S/C16H13N3O4S/c17-11-12-4-3-5-13(10-12)24(21,22)18-14-6-1-2-7-15(14)19-8-9-23-16(19)20/h1-7,10,18H,8-9H2
InChIKeyIKANMRUQPCLFIZ-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.32
Rot. Bonds4

About 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide

3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide (PubChem CID 51107967) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide
PubChem CID51107967
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)c1
InChIInChI=1S/C16H13N3O4S/c17-11-12-4-3-5-13(10-12)24(21,22)18-14-6-1-2-7-15(14)19-8-9-23-16(19)20/h1-7,10,18H,8-9H2
InChIKeyIKANMRUQPCLFIZ-UHFFFAOYSA-N
XLogP2.32
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide (CID 51107967) is 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCOC2=O)c1.
What is the InChIKey of 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is IKANMRUQPCLFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c17-11-12-4-3-5-13(10-12)24(21,22)18-14-6-1-2-7-15(14)19-8-9-23-16(19)20/h1-7,10,18H,8-9H2.
What are the key properties of 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide?
3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 343.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 51107967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).