1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide

C11H14ClN3O3S — CID 54941717

IUPAC1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O3S/c12-10-5-4-8(7-14-10)19(17,18)15-6-2-1-3-9(15)11(13)16/h4-5,7,9H,1-3,6H2,(H2,13,16)
InChIKeyCMBXFGDZAVTTHD-UHFFFAOYSA-N
MW303.77 g/mol
LogP0.76
Rot. Bonds3

About 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide

1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide (PubChem CID 54941717) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
PubChem CID54941717
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClN3O3S/c12-10-5-4-8(7-14-10)19(17,18)15-6-2-1-3-9(15)11(13)16/h4-5,7,9H,1-3,6H2,(H2,13,16)
InChIKeyCMBXFGDZAVTTHD-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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Related Compounds

1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980474
[(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305811
2-chloro-5-(2-cyclopentylpyrrolidin-1-yl)sulfonylpyridine
CID 47320753
[1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidin-2-yl]methanol
CID 61409885
(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane
CID 163464809
2-chloro-5-(2,3-dimethylpiperidin-1-yl)sulfonylpyridine
CID 55040373
1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980224
tert-butyl 2-[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-2-yl]acetate
CID 166419646
(2S)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-2-carbonitrile
CID 146541443
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
CID 115328958
[(2R,3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]-3-methylpiperidin-2-yl]methanol
CID 98794710

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide (CID 54941717) is 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide?
The InChIKey is CMBXFGDZAVTTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c12-10-5-4-8(7-14-10)19(17,18)15-6-2-1-3-9(15)11(13)16/h4-5,7,9H,1-3,6H2,(H2,13,16).
What are the key properties of 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide?
1-[(6-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-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide is sourced from PubChem (CID 54941717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).