5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

C12H19ClN2O4S — CID 64608264

IUPAC5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O4S/c1-9(2)8-15(4-5-19-3)20(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyBSDLRHQGAVVDTB-UHFFFAOYSA-N
MW322.81 g/mol
LogP1.32
Rot. Bonds7

About 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64608264) has the molecular formula C12H19ClN2O4S and a molecular weight of 322.81 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64608264
Molecular FormulaC12H19ClN2O4S
Molecular Weight322.81 g/mol
Exact Mass322.08
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCN(CC(C)C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O4S/c1-9(2)8-15(4-5-19-3)20(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyBSDLRHQGAVVDTB-UHFFFAOYSA-N
XLogP1.32
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629434
N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54876473
N-ethyl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54948249
N-butan-2-yl-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55000270
N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 60960188
N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 60981017
N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 63690253
5-chloro-N-(2-methoxyethyl)-6-oxo-N-pentan-3-yl-1H-pyridine-3-sulfonamide
CID 64606164
5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64606185
5-chloro-N-(2-ethoxyethyl)-N-ethyl-6-oxo-1H-pyridine-3-sulfonamide
CID 64606194
5-chloro-N-(2-methoxyethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606328
5-chloro-N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606336

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64608264) is 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is COCCN(CC(C)C)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is BSDLRHQGAVVDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O4S/c1-9(2)8-15(4-5-19-3)20(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 322.81 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64608264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).