(4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate

C15H16FN3O4S — CID 146106300

IUPAC(4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate
SMILESCC(=O)Nc1ccc(OS(=O)(=O)c2cnc3n2CCCC3)c(F)c1
InChIInChI=1S/C15H16FN3O4S/c1-10(20)18-11-5-6-13(12(16)8-11)23-24(21,22)15-9-17-14-4-2-3-7-19(14)15/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)
InChIKeyLDKXQBADUAWOIF-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.08
Rot. Bonds4

About (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate

(4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate (PubChem CID 146106300) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate.

Molecular Properties

Compound Name(4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate
PubChem CID146106300
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name(4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate
SMILESCC(=O)Nc1ccc(OS(=O)(=O)c2cnc3n2CCCC3)c(F)c1
InChIInChI=1S/C15H16FN3O4S/c1-10(20)18-11-5-6-13(12(16)8-11)23-24(21,22)15-9-17-14-4-2-3-7-19(14)15/h5-6,8-9H,2-4,7H2,1H3,(H,18,20)
InChIKeyLDKXQBADUAWOIF-UHFFFAOYSA-N
XLogP2.08
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide
CID 139760288
5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonic acid
CID 75539559
(2,4-difluorophenyl) 4-acetamidobenzenesulfonate
CID 51178770
N-(3-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonamide
CID 166258261
N-[3-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 166248325
N-[4-fluoro-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethylcarbamoylamino]phenyl]acetamide
CID 86988340
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
2-(2,4-dichlorophenoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 46530070
N-(4-chloro-5-fluoro-2-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 136567294
5-fluoro-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-methoxybenzamide
CID 37177715
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 34855811
N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 36819911

Frequently Asked Questions

What is the IUPAC name of (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate?
The IUPAC name of (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate (CID 146106300) is (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate.
What is the SMILES notation for (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate?
The canonical SMILES for (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate is CC(=O)Nc1ccc(OS(=O)(=O)c2cnc3n2CCCC3)c(F)c1.
What is the InChIKey of (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate?
The InChIKey is LDKXQBADUAWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c1-10(20)18-11-5-6-13(12(16)8-11)23-24(21,22)15-9-17-14-4-2-3-7-19(14)15/h5-6,8-9H,2-4,7H2,1H3,(H,18,20).
What are the key properties of (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate?
(4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate has a molecular weight of 353.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamido-2-fluorophenyl) 5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-sulfonate is sourced from PubChem (CID 146106300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).