2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide

C13H16ClN3O2S — CID 115640464

IUPAC2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESC=CCCCN(C)S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C13H16ClN3O2S/c1-3-4-6-9-16(2)20(18,19)13-12(14)15-11-8-5-7-10-17(11)13/h3,5,7-8,10H,1,4,6,9H2,2H3
InChIKeyVIMFKKJPWVUPNF-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.57
Rot. Bonds6

About 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide

2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 115640464) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID115640464
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC Name2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESC=CCCCN(C)S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C13H16ClN3O2S/c1-3-4-6-9-16(2)20(18,19)13-12(14)15-11-8-5-7-10-17(11)13/h3,5,7-8,10H,1,4,6,9H2,2H3
InChIKeyVIMFKKJPWVUPNF-UHFFFAOYSA-N
XLogP2.57
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide (CID 115640464) is 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide is C=CCCCN(C)S(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is VIMFKKJPWVUPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-3-4-6-9-16(2)20(18,19)13-12(14)15-11-8-5-7-10-17(11)13/h3,5,7-8,10H,1,4,6,9H2,2H3.
What are the key properties of 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide?
2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-pent-4-enylimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 115640464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).