N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide

C13H20ClN3O2S — CID 71977845

IUPACN-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-2-9-20(18,19)16-11-4-7-17(8-5-11)13-3-6-15-10-12(13)14/h3,6,10-11,16H,2,4-5,7-9H2,1H3
InChIKeyLKHFBEQHBDSXDW-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.03
Rot. Bonds5

About N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 71977845) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID71977845
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC NameN-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C13H20ClN3O2S/c1-2-9-20(18,19)16-11-4-7-17(8-5-11)13-3-6-15-10-12(13)14/h3,6,10-11,16H,2,4-5,7-9H2,1H3
InChIKeyLKHFBEQHBDSXDW-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide (CID 71977845) is N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is LKHFBEQHBDSXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-2-9-20(18,19)16-11-4-7-17(8-5-11)13-3-6-15-10-12(13)14/h3,6,10-11,16H,2,4-5,7-9H2,1H3.
What are the key properties of N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 71977845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).