1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide

C15H17ClN4O3S — CID 142622874

IUPAC1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cn1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H17ClN4O3S/c16-11-1-4-15(18-9-11)20-7-5-13(6-8-20)24(22,23)19-14-3-2-12(21)10-17-14/h1-4,9-10,13,21H,5-8H2,(H,17,19)
InChIKeyYNQQJUWVNUYNSB-UHFFFAOYSA-N
MW368.85 g/mol
LogP2.25
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide

1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide (PubChem CID 142622874) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide
PubChem CID142622874
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cn1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C15H17ClN4O3S/c16-11-1-4-15(18-9-11)20-7-5-13(6-8-20)24(22,23)19-14-3-2-12(21)10-17-14/h1-4,9-10,13,21H,5-8H2,(H,17,19)
InChIKeyYNQQJUWVNUYNSB-UHFFFAOYSA-N
XLogP2.25
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide (CID 142622874) is 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide is O=S(=O)(Nc1ccc(O)cn1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide?
The InChIKey is YNQQJUWVNUYNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c16-11-1-4-15(18-9-11)20-7-5-13(6-8-20)24(22,23)19-14-3-2-12(21)10-17-14/h1-4,9-10,13,21H,5-8H2,(H,17,19).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide?
1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide has a molecular weight of 368.85 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperidine-4-sulfonamide is sourced from PubChem (CID 142622874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).