4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide

C19H19N3O3S — CID 175666054

IUPAC4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCC1=N/C(=C\c2ccccc2)C(=O)N1CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-21-18(13-16-5-3-2-4-6-16)19(23)22(14)12-11-15-7-9-17(10-8-15)26(20,24)25/h2-10,13H,11-12H2,1H3,(H2,20,24,25)/b18-13-
InChIKeyLFDUVELCVROXIU-AQTBWJFISA-N
MW369.45 g/mol
LogP2.18
Rot. Bonds5

About 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide

4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 175666054) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID175666054
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCC1=N/C(=C\c2ccccc2)C(=O)N1CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-21-18(13-16-5-3-2-4-6-16)19(23)22(14)12-11-15-7-9-17(10-8-15)26(20,24)25/h2-10,13H,11-12H2,1H3,(H2,20,24,25)/b18-13-
InChIKeyLFDUVELCVROXIU-AQTBWJFISA-N
XLogP2.18
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide (CID 175666054) is 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide is CC1=N/C(=C\c2ccccc2)C(=O)N1CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is LFDUVELCVROXIU-AQTBWJFISA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-21-18(13-16-5-3-2-4-6-16)19(23)22(14)12-11-15-7-9-17(10-8-15)26(20,24)25/h2-10,13H,11-12H2,1H3,(H2,20,24,25)/b18-13-.
What are the key properties of 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide?
4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 175666054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).