3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide

C14H19N3O3S — CID 63870489

IUPAC3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCOC2CCNCC2)c1
InChIInChI=1S/C14H19N3O3S/c15-11-12-2-1-3-14(10-12)21(18,19)17-8-9-20-13-4-6-16-7-5-13/h1-3,10,13,16-17H,4-9H2
InChIKeyCRVAHVWNYOTQKB-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.61
Rot. Bonds6

About 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide

3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide (PubChem CID 63870489) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
PubChem CID63870489
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCOC2CCNCC2)c1
InChIInChI=1S/C14H19N3O3S/c15-11-12-2-1-3-14(10-12)21(18,19)17-8-9-20-13-4-6-16-7-5-13/h1-3,10,13,16-17H,4-9H2
InChIKeyCRVAHVWNYOTQKB-UHFFFAOYSA-N
XLogP0.61
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(3-piperidin-4-yloxypropyl)benzenesulfonamide
CID 63870833
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870153
3-cyano-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994501
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
N-(2-piperidin-4-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 63871314
3-cyano-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121937
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482
N-(2-cyclopentyloxyethyl)benzenesulfonamide
CID 61060137
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide (CID 63870489) is 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCCOC2CCNCC2)c1.
What is the InChIKey of 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
The InChIKey is CRVAHVWNYOTQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-11-12-2-1-3-14(10-12)21(18,19)17-8-9-20-13-4-6-16-7-5-13/h1-3,10,13,16-17H,4-9H2.
What are the key properties of 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide?
3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 63870489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).