1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide

C11H14ClN3O3S — CID 54895620

IUPAC1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C11H14ClN3O3S/c12-10-6-9(3-4-14-10)19(17,18)15-5-1-2-8(7-15)11(13)16/h3-4,6,8H,1-2,5,7H2,(H2,13,16)
InChIKeyNIVDLXQYRBBNJA-UHFFFAOYSA-N
MW303.77 g/mol
LogP0.62
Rot. Bonds3

About 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide

1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide (PubChem CID 54895620) has the molecular formula C11H14ClN3O3S and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
PubChem CID54895620
Molecular FormulaC11H14ClN3O3S
Molecular Weight303.77 g/mol
Exact Mass303.04
IUPAC Name1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C11H14ClN3O3S/c12-10-6-9(3-4-14-10)19(17,18)15-5-1-2-8(7-15)11(13)16/h3-4,6,8H,1-2,5,7H2,(H2,13,16)
InChIKeyNIVDLXQYRBBNJA-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
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-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 18170878
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980474
(3R)-1-[(2-chloro-4-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 107877670
2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
CID 102957078
2-chloro-4-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63169095
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-(3-amino-4-ethylphenyl)sulfonylpiperidine-3-carboxamide
CID 43257281
(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane
CID 163464809
1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 18086440
4-[(2-chloro-4-pyridinyl)sulfonyl]piperazine-1-sulfonamide
CID 61045619
1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 61045541

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide (CID 54895620) is 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide is NC(=O)C1CCCN(S(=O)(=O)c2ccnc(Cl)c2)C1.
What is the InChIKey of 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is NIVDLXQYRBBNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3S/c12-10-6-9(3-4-14-10)19(17,18)15-5-1-2-8(7-15)11(13)16/h3-4,6,8H,1-2,5,7H2,(H2,13,16).
What are the key properties of 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide?
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 303.77 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 54895620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).