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

C12H19ClN2O5S — CID 64606757

IUPAC5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCN(C(C)COC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O5S/c1-9(8-20-3)15(4-5-19-2)21(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyHDBPKFDFBBYYQX-UHFFFAOYSA-N
MW338.81 g/mol
LogP0.70
Rot. Bonds8

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

5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606757) has the molecular formula C12H19ClN2O5S and a molecular weight of 338.81 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606757
Molecular FormulaC12H19ClN2O5S
Molecular Weight338.81 g/mol
Exact Mass338.07
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCN(C(C)COC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H19ClN2O5S/c1-9(8-20-3)15(4-5-19-2)21(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyHDBPKFDFBBYYQX-UHFFFAOYSA-N
XLogP0.70
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606757) is 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is COCCN(C(C)COC)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is HDBPKFDFBBYYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O5S/c1-9(8-20-3)15(4-5-19-2)21(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-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 338.81 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).