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

C14H20N4O2S — CID 6734825

IUPAC4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
SMILESCCN1CC(NS(=O)(=O)c2ccc(C#N)cc2)CN1CC
InChIInChI=1S/C14H20N4O2S/c1-3-17-10-13(11-18(17)4-2)16-21(19,20)14-7-5-12(9-15)6-8-14/h5-8,13,16H,3-4,10-11H2,1-2H3
InChIKeyOTVYIJGHSXPXCH-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.78
Rot. Bonds5

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

4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide (PubChem CID 6734825) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
PubChem CID6734825
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
SMILESCCN1CC(NS(=O)(=O)c2ccc(C#N)cc2)CN1CC
InChIInChI=1S/C14H20N4O2S/c1-3-17-10-13(11-18(17)4-2)16-21(19,20)14-7-5-12(9-15)6-8-14/h5-8,13,16H,3-4,10-11H2,1-2H3
InChIKeyOTVYIJGHSXPXCH-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

4-cyano-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672192
4-cyano-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 113256895
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6736499
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-cyano-N-[4-(cyclopropylsulfamoyl)phenyl]benzenesulfonamide
CID 24602920
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-cyano-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
CID 91626350
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
N-[(3R)-1-[3-[4-(4-cyanophenyl)phenoxy]propyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 10206738
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide (CID 6734825) is 4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide is CCN1CC(NS(=O)(=O)c2ccc(C#N)cc2)CN1CC.
What is the InChIKey of 4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide?
The InChIKey is OTVYIJGHSXPXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-17-10-13(11-18(17)4-2)16-21(19,20)14-7-5-12(9-15)6-8-14/h5-8,13,16H,3-4,10-11H2,1-2H3.
What are the key properties of 4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide?
4-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 4-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 6734825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).