2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide

C14H19N3O2S — CID 61061706

IUPAC2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C14H19N3O2S/c15-12-13-6-2-3-7-14(13)20(18,19)16-8-11-17-9-4-1-5-10-17/h2-3,6-7,16H,1,4-5,8-11H2
InChIKeyWQSUXJKXWAMTCD-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.32
Rot. Bonds5

About 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide

2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 61061706) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID61061706
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)NCCN1CCCCC1
InChIInChI=1S/C14H19N3O2S/c15-12-13-6-2-3-7-14(13)20(18,19)16-8-11-17-9-4-1-5-10-17/h2-3,6-7,16H,1,4-5,8-11H2
InChIKeyWQSUXJKXWAMTCD-UHFFFAOYSA-N
XLogP1.32
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-cyano-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62636597
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
2-cyano-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722704
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
2-[(2-cyanophenyl)sulfonylamino]-N-piperidin-1-ylacetamide
CID 9271774
2-cyano-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 110357461
2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 103989092
2-[(2-cyanophenyl)sulfonylamino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143151
2-methylsulfonyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 78843443
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzenesulfonamide
CID 110403097

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 61061706) is 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)NCCN1CCCCC1.
What is the InChIKey of 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is WQSUXJKXWAMTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-12-13-6-2-3-7-14(13)20(18,19)16-8-11-17-9-4-1-5-10-17/h2-3,6-7,16H,1,4-5,8-11H2.
What are the key properties of 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61061706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).