N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide

C20H21FN2O2S — CID 110416549

IUPACN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccc(F)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H21FN2O2S/c1-15-12-18(16(2)23(15)20-6-4-3-5-7-20)13-22-26(24,25)14-17-8-10-19(21)11-9-17/h3-12,22H,13-14H2,1-2H3
InChIKeyUIIVOLMCYHTCGJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.85
Rot. Bonds6

About N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 110416549) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID110416549
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC NameN-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(CNS(=O)(=O)Cc2ccc(F)cc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H21FN2O2S/c1-15-12-18(16(2)23(15)20-6-4-3-5-7-20)13-22-26(24,25)14-17-8-10-19(21)11-9-17/h3-12,22H,13-14H2,1-2H3
InChIKeyUIIVOLMCYHTCGJ-UHFFFAOYSA-N
XLogP3.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide 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 N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide (CID 110416549) is N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide is Cc1cc(CNS(=O)(=O)Cc2ccc(F)cc2)c(C)n1-c1ccccc1.
What is the InChIKey of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is UIIVOLMCYHTCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-15-12-18(16(2)23(15)20-6-4-3-5-7-20)13-22-26(24,25)14-17-8-10-19(21)11-9-17/h3-12,22H,13-14H2,1-2H3.
What are the key properties of N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 372.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 110416549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).