(1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C15H17N3O3S — CID 4144161

IUPAC(1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCn1ccnc1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H17N3O3S/c1-17-11-8-16-15(17)14(19)12-4-6-13(7-5-12)22(20,21)18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3
InChIKeyXWBFUPMCVFXVGZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.44
Rot. Bonds4

About (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

(1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 4144161) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID4144161
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCn1ccnc1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H17N3O3S/c1-17-11-8-16-15(17)14(19)12-4-6-13(7-5-12)22(20,21)18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3
InChIKeyXWBFUPMCVFXVGZ-UHFFFAOYSA-N
XLogP1.44
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 4144161) is (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is Cn1ccnc1C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is XWBFUPMCVFXVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-17-11-8-16-15(17)14(19)12-4-6-13(7-5-12)22(20,21)18-9-2-3-10-18/h4-8,11H,2-3,9-10H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
(1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 319.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 4144161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).