N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide

C11H16ClN3O4S — CID 64608272

IUPACN-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H16ClN3O4S/c1-7(2)10(16)13-3-4-15-20(18,19)8-5-9(12)11(17)14-6-8/h5-7,15H,3-4H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyGZAVAOKEVBFWCF-UHFFFAOYSA-N
MW321.79 g/mol
LogP0.08
Rot. Bonds6

About N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide

N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide (PubChem CID 64608272) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
PubChem CID64608272
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC NameN-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C11H16ClN3O4S/c1-7(2)10(16)13-3-4-15-20(18,19)8-5-9(12)11(17)14-6-8/h5-7,15H,3-4H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyGZAVAOKEVBFWCF-UHFFFAOYSA-N
XLogP0.08
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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]acetic acid
CID 64606557
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-methylacetamide
CID 64607870
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102700034
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid
CID 64608093
5-chloro-6-oxo-N-(3-sulfamoylpropyl)-1H-pyridine-3-sulfonamide
CID 64609049
5-chloro-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-sulfonamide
CID 64608644
5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606568
5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 83186740
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
5-chloro-N-(2-hydroxy-3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608871

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide (CID 64608272) is N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide?
The InChIKey is GZAVAOKEVBFWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-7(2)10(16)13-3-4-15-20(18,19)8-5-9(12)11(17)14-6-8/h5-7,15H,3-4H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide?
N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide has a molecular weight of 321.79 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 64608272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).