5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide

C12H20ClN3O4S — CID 136574853

IUPAC5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnc(N(C)CCOC)c(Cl)c1
InChIInChI=1S/C12H20ClN3O4S/c1-16(5-7-20-3)12-11(13)8-10(9-14-12)21(17,18)15-4-6-19-2/h8-9,15H,4-7H2,1-3H3
InChIKeyDTYRNRVQUSSBCM-UHFFFAOYSA-N
MW337.83 g/mol
LogP0.74
Rot. Bonds9

About 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide

5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide (PubChem CID 136574853) has the molecular formula C12H20ClN3O4S and a molecular weight of 337.83 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide
PubChem CID136574853
Molecular FormulaC12H20ClN3O4S
Molecular Weight337.83 g/mol
Exact Mass337.09
IUPAC Name5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide
SMILESCOCCNS(=O)(=O)c1cnc(N(C)CCOC)c(Cl)c1
InChIInChI=1S/C12H20ClN3O4S/c1-16(5-7-20-3)12-11(13)8-10(9-14-12)21(17,18)15-4-6-19-2/h8-9,15H,4-7H2,1-3H3
InChIKeyDTYRNRVQUSSBCM-UHFFFAOYSA-N
XLogP0.74
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide (CID 136574853) is 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide is COCCNS(=O)(=O)c1cnc(N(C)CCOC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide?
The InChIKey is DTYRNRVQUSSBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O4S/c1-16(5-7-20-3)12-11(13)8-10(9-14-12)21(17,18)15-4-6-19-2/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide?
5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide has a molecular weight of 337.83 g/mol, XLogP of 0.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-6-[2-methoxyethyl(methyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 136574853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).