N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

C17H22N4O2S — CID 86801011

IUPACN-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1cnc2n1CCC2
InChIInChI=1S/C17H22N4O2S/c22-24(23,17-13-18-16-9-6-12-21(16)17)19-14-7-2-3-8-15(14)20-10-4-1-5-11-20/h2-3,7-8,13,19H,1,4-6,9-12H2
InChIKeyGPLRLRUHOVMDHX-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.62
Rot. Bonds4

About N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide

N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (PubChem CID 86801011) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
PubChem CID86801011
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCCCC1)c1cnc2n1CCC2
InChIInChI=1S/C17H22N4O2S/c22-24(23,17-13-18-16-9-6-12-21(16)17)19-14-7-2-3-8-15(14)20-10-4-1-5-11-20/h2-3,7-8,13,19H,1,4-6,9-12H2
InChIKeyGPLRLRUHOVMDHX-UHFFFAOYSA-N
XLogP2.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide (CID 86801011) is N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is O=S(=O)(Nc1ccccc1N1CCCCC1)c1cnc2n1CCC2.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
The InChIKey is GPLRLRUHOVMDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c22-24(23,17-13-18-16-9-6-12-21(16)17)19-14-7-2-3-8-15(14)20-10-4-1-5-11-20/h2-3,7-8,13,19H,1,4-6,9-12H2.
What are the key properties of N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide?
N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-sulfonamide is sourced from PubChem (CID 86801011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).