3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide

C19H18FN3O3S — CID 171049336

IUPAC3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C19H18FN3O3S/c1-21-27(24,25)15-7-8-18(26-14-5-2-4-13(20)10-14)16(11-15)17-12-23-9-3-6-19(23)22-17/h2,4-5,7-8,10-12,21H,3,6,9H2,1H3
InChIKeyVEXIHULOFHTSBH-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.34
Rot. Bonds5

About 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide

3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide (PubChem CID 171049336) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide
PubChem CID171049336
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C19H18FN3O3S/c1-21-27(24,25)15-7-8-18(26-14-5-2-4-13(20)10-14)16(11-15)17-12-23-9-3-6-19(23)22-17/h2,4-5,7-8,10-12,21H,3,6,9H2,1H3
InChIKeyVEXIHULOFHTSBH-UHFFFAOYSA-N
XLogP3.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(6S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049351
N-methyl-3-[(6R)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049373
5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide
CID 171049359
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide
CID 167308072
3-chloro-4-fluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283202
3-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)-4-(4-fluorophenoxy)-N-methylbenzenesulfonamide
CID 164903496
2,5-difluoro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283171
N-methyl-3-(5-methyl-1H-imidazol-2-yl)-4-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 155342852
3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
CID 167308173
5-(methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 155342907
4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283176
4-(4-fluorophenoxy)-N-methyl-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)benzenesulfonamide
CID 139341564

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide (CID 171049336) is 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Oc2cccc(F)c2)c(-c2cn3c(n2)CCC3)c1.
What is the InChIKey of 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide?
The InChIKey is VEXIHULOFHTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-21-27(24,25)15-7-8-18(26-14-5-2-4-13(20)10-14)16(11-15)17-12-23-9-3-6-19(23)22-17/h2,4-5,7-8,10-12,21H,3,6,9H2,1H3.
What are the key properties of 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide?
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 171049336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).