5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H18ClN3O4S — CID 64606336

IUPAC5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C12H18ClN3O4S/c13-11-8-10(9-14-12(11)17)21(18,19)15-2-1-3-16-4-6-20-7-5-16/h8-9,15H,1-7H2,(H,14,17)
InChIKeyHSSCNUCARHYGPC-UHFFFAOYSA-N
MW335.81 g/mol
LogP0.03
Rot. Bonds6

About 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606336) has the molecular formula C12H18ClN3O4S and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606336
Molecular FormulaC12H18ClN3O4S
Molecular Weight335.81 g/mol
Exact Mass335.07
IUPAC Name5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C12H18ClN3O4S/c13-11-8-10(9-14-12(11)17)21(18,19)15-2-1-3-16-4-6-20-7-5-16/h8-9,15H,1-7H2,(H,14,17)
InChIKeyHSSCNUCARHYGPC-UHFFFAOYSA-N
XLogP0.03
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606336) is 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is O=c1[nH]cc(S(=O)(=O)NCCCN2CCOCC2)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is HSSCNUCARHYGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O4S/c13-11-8-10(9-14-12(11)17)21(18,19)15-2-1-3-16-4-6-20-7-5-16/h8-9,15H,1-7H2,(H,14,17).
What are the key properties of 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 335.81 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).