1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide

C11H14ClN3O3S — CID 54980224

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H14ClN3O3S/c12-10-9(5-3-6-14-10)19(17,18)15-7-2-1-4-8(15)11(13)16/h3,5-6,8H,1-2,4,7H2,(H2,13,16)
InChIKeyINZJNXRESXXYKR-UHFFFAOYSA-N
MW303.77 g/mol
LogP0.76
Rot. Bonds3

About 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide (PubChem CID 54980224) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
PubChem CID54980224
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H14ClN3O3S/c12-10-9(5-3-6-14-10)19(17,18)15-7-2-1-4-8(15)11(13)16/h3,5-6,8H,1-2,4,7H2,(H2,13,16)
InChIKeyINZJNXRESXXYKR-UHFFFAOYSA-N
XLogP0.76
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide (CID 54980224) is 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide?
The InChIKey is INZJNXRESXXYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c12-10-9(5-3-6-14-10)19(17,18)15-7-2-1-4-8(15)11(13)16/h3,5-6,8H,1-2,4,7H2,(H2,13,16).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide has a molecular weight of 303.77 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide is sourced from PubChem (CID 54980224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).