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

C16H13N3O4S — CID 51107966

IUPAC2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccccc1N1CCOC1=O
InChIInChI=1S/C16H13N3O4S/c17-11-12-5-1-4-8-15(12)24(21,22)18-13-6-2-3-7-14(13)19-9-10-23-16(19)20/h1-8,18H,9-10H2
InChIKeyCHLLYLSTINSTFJ-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.32
Rot. Bonds4

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

2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide (PubChem CID 51107966) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide
PubChem CID51107966
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccccc1N1CCOC1=O
InChIInChI=1S/C16H13N3O4S/c17-11-12-5-1-4-8-15(12)24(21,22)18-13-6-2-3-7-14(13)19-9-10-23-16(19)20/h1-8,18H,9-10H2
InChIKeyCHLLYLSTINSTFJ-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 2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide (CID 51107966) is 2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1ccccc1N1CCOC1=O.
What is the InChIKey of 2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is CHLLYLSTINSTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c17-11-12-5-1-4-8-15(12)24(21,22)18-13-6-2-3-7-14(13)19-9-10-23-16(19)20/h1-8,18H,9-10H2.
What are the key properties of 2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide?
2-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 2-cyano-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 51107966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).