N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide

C14H20N4O3S — CID 91923949

IUPACN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide
SMILESCOCCn1c(C)cnc1CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H20N4O3S/c1-12-10-16-14(18(12)8-9-21-2)5-7-17-22(19,20)13-4-3-6-15-11-13/h3-4,6,10-11,17H,5,7-9H2,1-2H3
InChIKeyIDVZVTBGDKVIJE-UHFFFAOYSA-N
MW324.41 g/mol
LogP0.75
Rot. Bonds8

About N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide

N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide (PubChem CID 91923949) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide
PubChem CID91923949
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC NameN-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide
SMILESCOCCn1c(C)cnc1CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H20N4O3S/c1-12-10-16-14(18(12)8-9-21-2)5-7-17-22(19,20)13-4-3-6-15-11-13/h3-4,6,10-11,17H,5,7-9H2,1-2H3
InChIKeyIDVZVTBGDKVIJE-UHFFFAOYSA-N
XLogP0.75
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide (CID 91923949) is N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide is COCCn1c(C)cnc1CCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide?
The InChIKey is IDVZVTBGDKVIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-12-10-16-14(18(12)8-9-21-2)5-7-17-22(19,20)13-4-3-6-15-11-13/h3-4,6,10-11,17H,5,7-9H2,1-2H3.
What are the key properties of N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide?
N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide has a molecular weight of 324.41 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methoxyethyl)-5-methylimidazol-2-yl]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91923949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).