[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

C15H18N4O3S — CID 168681755

IUPAC[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1nccn1-c1ccc(N2CC(CS(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C15H18N4O3S/c1-11-17-6-7-18(11)13-2-4-14(5-3-13)19-9-12(8-15(19)20)10-23(16,21)22/h2-7,12H,8-10H2,1H3,(H2,16,21,22)
InChIKeyKZWDPHARRXWLBI-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.82
Rot. Bonds4

About [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681755) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681755
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCc1nccn1-c1ccc(N2CC(CS(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C15H18N4O3S/c1-11-17-6-7-18(11)13-2-4-14(5-3-13)19-9-12(8-15(19)20)10-23(16,21)22/h2-7,12H,8-10H2,1H3,(H2,16,21,22)
InChIKeyKZWDPHARRXWLBI-UHFFFAOYSA-N
XLogP0.82
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 168660067
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
[1-[4-(2-hydroxyethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683084
[1-(2-fluoro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683056
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-(2-ethylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680917

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681755) is [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is Cc1nccn1-c1ccc(N2CC(CS(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is KZWDPHARRXWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-11-17-6-7-18(11)13-2-4-14(5-3-13)19-9-12(8-15(19)20)10-23(16,21)22/h2-7,12H,8-10H2,1H3,(H2,16,21,22).
What are the key properties of [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).