4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide

C11H10N2O4S — CID 43822806

IUPAC4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C11H10N2O4S/c12-7-8-1-3-9(4-2-8)18(15,16)13-10-5-6-17-11(10)14/h1-4,10,13H,5-6H2
InChIKeyBZOGPXWNJNSQCR-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.15
Rot. Bonds3

About 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide

4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide (PubChem CID 43822806) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
PubChem CID43822806
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C11H10N2O4S/c12-7-8-1-3-9(4-2-8)18(15,16)13-10-5-6-17-11(10)14/h1-4,10,13H,5-6H2
InChIKeyBZOGPXWNJNSQCR-UHFFFAOYSA-N
XLogP0.15
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 135183680
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 25014867
6-[(2-oxooxolan-3-yl)amino]pyridine-3-carbonitrile
CID 43822801
4-(3-chloroanilino)-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 129065761
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
CID 126756539
4-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)benzenesulfonamide
CID 103765723
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide (CID 43822806) is 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NC2CCOC2=O)cc1.
What is the InChIKey of 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide?
The InChIKey is BZOGPXWNJNSQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c12-7-8-1-3-9(4-2-8)18(15,16)13-10-5-6-17-11(10)14/h1-4,10,13H,5-6H2.
What are the key properties of 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide?
4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide has a molecular weight of 266.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 43822806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).