2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole

C18H19ClN2O2S — CID 110316401

IUPAC2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CC2CCCN2C1c1ccccc1
InChIInChI=1S/C18H19ClN2O2S/c19-15-8-4-10-17(12-15)24(22,23)21-13-16-9-5-11-20(16)18(21)14-6-2-1-3-7-14/h1-4,6-8,10,12,16,18H,5,9,11,13H2
InChIKeyGQOBEKSAYVBVQU-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.51
Rot. Bonds3

About 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole

2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole (PubChem CID 110316401) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
PubChem CID110316401
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole
SMILESO=S(=O)(c1cccc(Cl)c1)N1CC2CCCN2C1c1ccccc1
InChIInChI=1S/C18H19ClN2O2S/c19-15-8-4-10-17(12-15)24(22,23)21-13-16-9-5-11-20(16)18(21)14-6-2-1-3-7-14/h1-4,6-8,10,12,16,18H,5,9,11,13H2
InChIKeyGQOBEKSAYVBVQU-UHFFFAOYSA-N
XLogP3.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
The IUPAC name of 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole (CID 110316401) is 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole.
What is the SMILES notation for 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
The canonical SMILES for 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole is O=S(=O)(c1cccc(Cl)c1)N1CC2CCCN2C1c1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
The InChIKey is GQOBEKSAYVBVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c19-15-8-4-10-17(12-15)24(22,23)21-13-16-9-5-11-20(16)18(21)14-6-2-1-3-7-14/h1-4,6-8,10,12,16,18H,5,9,11,13H2.
What are the key properties of 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole?
2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole has a molecular weight of 362.88 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfonyl-3-phenyl-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c]imidazole is sourced from PubChem (CID 110316401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).