1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole

C23H20N2O4S2 — CID 175289671

IUPAC1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole
SMILESCC(Cc1ccccc1)(c1cccs1)c1cccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H20N2O4S2/c1-23(22-10-6-16-30-22,17-18-7-3-2-4-8-18)21-9-5-15-24(21)31(28,29)20-13-11-19(12-14-20)25(26)27/h2-16H,17H2,1H3
InChIKeyREIUKCRSCZXKLK-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.24
Rot. Bonds7

About 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole

1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole (PubChem CID 175289671) has the molecular formula C23H20N2O4S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole.

Molecular Properties

Compound Name1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole
PubChem CID175289671
Molecular FormulaC23H20N2O4S2
Molecular Weight452.56 g/mol
Exact Mass452.09
IUPAC Name1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole
SMILESCC(Cc1ccccc1)(c1cccs1)c1cccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H20N2O4S2/c1-23(22-10-6-16-30-22,17-18-7-3-2-4-8-18)21-9-5-15-24(21)31(28,29)20-13-11-19(12-14-20)25(26)27/h2-16H,17H2,1H3
InChIKeyREIUKCRSCZXKLK-UHFFFAOYSA-N
XLogP5.24
TPSA82.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole 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 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole?
The IUPAC name of 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole (CID 175289671) is 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole.
What is the SMILES notation for 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole?
The canonical SMILES for 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole is CC(Cc1ccccc1)(c1cccs1)c1cccn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole?
The InChIKey is REIUKCRSCZXKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S2/c1-23(22-10-6-16-30-22,17-18-7-3-2-4-8-18)21-9-5-15-24(21)31(28,29)20-13-11-19(12-14-20)25(26)27/h2-16H,17H2,1H3.
What are the key properties of 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole?
1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole has a molecular weight of 452.56 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)sulfonyl-2-(1-phenyl-2-thiophen-2-ylpropan-2-yl)pyrrole is sourced from PubChem (CID 175289671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).