5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide

C12H20ClN3O3S — CID 102995739

IUPAC5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H20ClN3O3S/c1-4-16(7-5-6-15(2)3)20(18,19)10-8-11(13)12(17)14-9-10/h8-9H,4-7H2,1-3H3,(H,14,17)
InChIKeyDQPUSAJGSBQVRT-UHFFFAOYSA-N
MW321.83 g/mol
LogP0.99
Rot. Bonds7

About 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 102995739) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID102995739
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H20ClN3O3S/c1-4-16(7-5-6-15(2)3)20(18,19)10-8-11(13)12(17)14-9-10/h8-9H,4-7H2,1-3H3,(H,14,17)
InChIKeyDQPUSAJGSBQVRT-UHFFFAOYSA-N
XLogP0.99
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-sulfonamide
CID 64607138
3-chloro-4-cyano-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102993327
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606165
5-chloro-N-(3-hydroxybutyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 113499786
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
5-chloro-N-ethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64606943
5-chloro-N-methyl-6-oxo-N-pentan-2-yl-1H-pyridine-3-sulfonamide
CID 64608066
5-chloro-N-(4-ethylphenyl)-N-methyl-6-oxo-1H-pyridine-3-sulfonamide
CID 64607143
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608264
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide (CID 102995739) is 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is DQPUSAJGSBQVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3S/c1-4-16(7-5-6-15(2)3)20(18,19)10-8-11(13)12(17)14-9-10/h8-9H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 321.83 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 102995739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).