5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide

C22H20FN5O2S — CID 87304742

IUPAC5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(-c2ccc3ncc(/C=N/N(C)S(=O)(=O)c4cc(F)ccc4C)n3c2)cn1
InChIInChI=1S/C22H20FN5O2S/c1-15-4-8-19(23)10-21(15)31(29,30)27(3)26-13-20-12-25-22-9-7-18(14-28(20)22)17-6-5-16(2)24-11-17/h4-14H,1-3H3/b26-13+
InChIKeyPKENSUIMDOMKRS-LGJNPRDNSA-N
MW437.50 g/mol
LogP3.81
Rot. Bonds5

About 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide

5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide (PubChem CID 87304742) has the molecular formula C22H20FN5O2S and a molecular weight of 437.50 g/mol. Its IUPAC name is 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
PubChem CID87304742
Molecular FormulaC22H20FN5O2S
Molecular Weight437.50 g/mol
Exact Mass437.13
IUPAC Name5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
SMILESCc1ccc(-c2ccc3ncc(/C=N/N(C)S(=O)(=O)c4cc(F)ccc4C)n3c2)cn1
InChIInChI=1S/C22H20FN5O2S/c1-15-4-8-19(23)10-21(15)31(29,30)27(3)26-13-20-12-25-22-9-7-18(14-28(20)22)17-6-5-16(2)24-11-17/h4-14H,1-3H3/b26-13+
InChIKeyPKENSUIMDOMKRS-LGJNPRDNSA-N
XLogP3.81
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide (CID 87304742) is 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide is Cc1ccc(-c2ccc3ncc(/C=N/N(C)S(=O)(=O)c4cc(F)ccc4C)n3c2)cn1.
What is the InChIKey of 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
The InChIKey is PKENSUIMDOMKRS-LGJNPRDNSA-N. The full InChI is InChI=1S/C22H20FN5O2S/c1-15-4-8-19(23)10-21(15)31(29,30)27(3)26-13-20-12-25-22-9-7-18(14-28(20)22)17-6-5-16(2)24-11-17/h4-14H,1-3H3/b26-13+.
What are the key properties of 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide?
5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide has a molecular weight of 437.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2-dimethyl-N-[(E)-[6-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 87304742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).