5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide

C14H17ClN4O2S — CID 136574884

IUPAC5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide
SMILESCC(CC#N)NS(=O)(=O)c1cnc(N2CC=CCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN4O2S/c1-11(5-6-16)18-22(20,21)12-9-13(15)14(17-10-12)19-7-3-2-4-8-19/h2-3,9-11,18H,4-5,7-8H2,1H3
InChIKeyHHUAPPVDSLJZTM-UHFFFAOYSA-N
MW340.84 g/mol
LogP2.08
Rot. Bonds5

About 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide

5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide (PubChem CID 136574884) has the molecular formula C14H17ClN4O2S and a molecular weight of 340.84 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide
PubChem CID136574884
Molecular FormulaC14H17ClN4O2S
Molecular Weight340.84 g/mol
Exact Mass340.08
IUPAC Name5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide
SMILESCC(CC#N)NS(=O)(=O)c1cnc(N2CC=CCC2)c(Cl)c1
InChIInChI=1S/C14H17ClN4O2S/c1-11(5-6-16)18-22(20,21)12-9-13(15)14(17-10-12)19-7-3-2-4-8-19/h2-3,9-11,18H,4-5,7-8H2,1H3
InChIKeyHHUAPPVDSLJZTM-UHFFFAOYSA-N
XLogP2.08
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide (CID 136574884) is 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide is CC(CC#N)NS(=O)(=O)c1cnc(N2CC=CCC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide?
The InChIKey is HHUAPPVDSLJZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2S/c1-11(5-6-16)18-22(20,21)12-9-13(15)14(17-10-12)19-7-3-2-4-8-19/h2-3,9-11,18H,4-5,7-8H2,1H3.
What are the key properties of 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide?
5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide has a molecular weight of 340.84 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanopropan-2-yl)-6-(3,6-dihydro-2H-pyridin-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 136574884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).