4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline

C16H19N3O2S — CID 2770922

IUPAC4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C16H19N3O2S/c17-14-6-8-15(9-7-14)22(20,21)19-11-2-1-5-16(19)13-4-3-10-18-12-13/h3-4,6-10,12,16H,1-2,5,11,17H2
InChIKeyTYAINMIHJGKNSO-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.58
Rot. Bonds3

About 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline

4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline (PubChem CID 2770922) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline
PubChem CID2770922
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline
SMILESNc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C16H19N3O2S/c17-14-6-8-15(9-7-14)22(20,21)19-11-2-1-5-16(19)13-4-3-10-18-12-13/h3-4,6-10,12,16H,1-2,5,11,17H2
InChIKeyTYAINMIHJGKNSO-UHFFFAOYSA-N
XLogP2.58
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline (CID 2770922) is 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline is Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1.
What is the InChIKey of 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline?
The InChIKey is TYAINMIHJGKNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c17-14-6-8-15(9-7-14)22(20,21)19-11-2-1-5-16(19)13-4-3-10-18-12-13/h3-4,6-10,12,16H,1-2,5,11,17H2.
What are the key properties of 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline?
4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline has a molecular weight of 317.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 2770922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).