3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol

C18H16N2O3S — CID 136672914

IUPAC3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol
SMILES[H]/N=C/c1c(O)[nH]c(-c2ccccc2)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H16N2O3S/c1-12-7-9-14(10-8-12)24(22,23)17-15(11-19)18(21)20-16(17)13-5-3-2-4-6-13/h2-11,19-21H,1H3/b19-11+
InChIKeyUJZZJCGSVLXYLX-YBFXNURJSA-N
MW340.40 g/mol
LogP3.53
Rot. Bonds4

About 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol

3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol (PubChem CID 136672914) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol.

Molecular Properties

Compound Name3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol
PubChem CID136672914
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol
SMILES[H]/N=C/c1c(O)[nH]c(-c2ccccc2)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H16N2O3S/c1-12-7-9-14(10-8-12)24(22,23)17-15(11-19)18(21)20-16(17)13-5-3-2-4-6-13/h2-11,19-21H,1H3/b19-11+
InChIKeyUJZZJCGSVLXYLX-YBFXNURJSA-N
XLogP3.53
TPSA94.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol?
The IUPAC name of 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol (CID 136672914) is 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol.
What is the SMILES notation for 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol?
The canonical SMILES for 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol is [H]/N=C/c1c(O)[nH]c(-c2ccccc2)c1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol?
The InChIKey is UJZZJCGSVLXYLX-YBFXNURJSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-7-9-14(10-8-12)24(22,23)17-15(11-19)18(21)20-16(17)13-5-3-2-4-6-13/h2-11,19-21H,1H3/b19-11+.
What are the key properties of 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol?
3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol has a molecular weight of 340.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-4-(4-methylphenyl)sulfonyl-5-phenyl-1H-pyrrol-2-ol is sourced from PubChem (CID 136672914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).