2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide

C14H20N4O2S — CID 6736499

IUPAC2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
SMILESCCN1CC(NS(=O)(=O)c2ccccc2C#N)CN1CC
InChIInChI=1S/C14H20N4O2S/c1-3-17-10-13(11-18(17)4-2)16-21(19,20)14-8-6-5-7-12(14)9-15/h5-8,13,16H,3-4,10-11H2,1-2H3
InChIKeyWYVGSYSXWYZTKE-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.78
Rot. Bonds5

About 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide

2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide (PubChem CID 6736499) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
PubChem CID6736499
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
SMILESCCN1CC(NS(=O)(=O)c2ccccc2C#N)CN1CC
InChIInChI=1S/C14H20N4O2S/c1-3-17-10-13(11-18(17)4-2)16-21(19,20)14-8-6-5-7-12(14)9-15/h5-8,13,16H,3-4,10-11H2,1-2H3
InChIKeyWYVGSYSXWYZTKE-UHFFFAOYSA-N
XLogP0.78
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43215397
4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6734825
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 3592960
2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
CID 64747639
2-cyano-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 115881064
2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 115753517
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide
CID 110822198
N-(2-amino-4-ethoxycyclobutyl)-2-cyanobenzenesulfonamide
CID 66196473
3-[(2-cyanophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042945

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide (CID 6736499) is 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide is CCN1CC(NS(=O)(=O)c2ccccc2C#N)CN1CC.
What is the InChIKey of 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide?
The InChIKey is WYVGSYSXWYZTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-17-10-13(11-18(17)4-2)16-21(19,20)14-8-6-5-7-12(14)9-15/h5-8,13,16H,3-4,10-11H2,1-2H3.
What are the key properties of 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide?
2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 6736499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).