5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide

C8H12ClN3O5S2 — CID 64609049

IUPAC5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)CCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C8H12ClN3O5S2/c9-7-4-6(5-11-8(7)13)19(16,17)12-2-1-3-18(10,14)15/h4-5,12H,1-3H2,(H,11,13)(H2,10,14,15)
InChIKeyJLDSHCDSRZLNDP-UHFFFAOYSA-N
MW329.79 g/mol
LogP-1.01
Rot. Bonds6

About 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide

5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide (PubChem CID 64609049) has the molecular formula C8H12ClN3O5S2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide
PubChem CID64609049
Molecular FormulaC8H12ClN3O5S2
Molecular Weight329.79 g/mol
Exact Mass328.99
IUPAC Name5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide
SMILESNS(=O)(=O)CCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C8H12ClN3O5S2/c9-7-4-6(5-11-8(7)13)19(16,17)12-2-1-3-18(10,14)15/h4-5,12H,1-3H2,(H,11,13)(H2,10,14,15)
InChIKeyJLDSHCDSRZLNDP-UHFFFAOYSA-N
XLogP-1.01
TPSA139.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557
N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
CID 64608272
5-chloro-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-sulfonamide
CID 64608644
3-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114327
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-methylacetamide
CID 64607870
5-chloro-6-oxo-N-(2-pyridin-2-ylethyl)-1H-pyridine-3-sulfonamide
CID 64609007
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113450761
5-chloro-6-oxo-N-(2,2,3,3-tetrafluoropropyl)-1H-pyridine-3-sulfonamide
CID 106293639
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102700034
5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608816
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide (CID 64609049) is 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide is NS(=O)(=O)CCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide?
The InChIKey is JLDSHCDSRZLNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O5S2/c9-7-4-6(5-11-8(7)13)19(16,17)12-2-1-3-18(10,14)15/h4-5,12H,1-3H2,(H,11,13)(H2,10,14,15).
What are the key properties of 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide?
5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide has a molecular weight of 329.79 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64609049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).