ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline

C26H35FN4O3S — CID 145128048

IUPACethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCC.CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(NCCN3CCOCC3)c2)c1
InChIInChI=1S/C24H29FN4O3S.C2H6/c1-26-17-19-15-24(22-7-2-3-8-23(22)25)29(18-19)33(30,31)21-6-4-5-20(16-21)27-9-10-28-11-13-32-14-12-28;1-2/h2-8,15-16,18,26-27H,9-14,17H2,1H3;1-2H3
InChIKeyFZXAIKGFPGJBHG-UHFFFAOYSA-N
MW502.66 g/mol
LogP4.02
Rot. Bonds9

About ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline

ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 145128048) has the molecular formula C26H35FN4O3S and a molecular weight of 502.66 g/mol. Its IUPAC name is ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Nameethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID145128048
Molecular FormulaC26H35FN4O3S
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Nameethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCC.CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(NCCN3CCOCC3)c2)c1
InChIInChI=1S/C24H29FN4O3S.C2H6/c1-26-17-19-15-24(22-7-2-3-8-23(22)25)29(18-19)33(30,31)21-6-4-5-20(16-21)27-9-10-28-11-13-32-14-12-28;1-2/h2-8,15-16,18,26-27H,9-14,17H2,1H3;1-2H3
InChIKeyFZXAIKGFPGJBHG-UHFFFAOYSA-N
XLogP4.02
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline 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 ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline (CID 145128048) is ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline is CC.CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccc(NCCN3CCOCC3)c2)c1.
What is the InChIKey of ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is FZXAIKGFPGJBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S.C2H6/c1-26-17-19-15-24(22-7-2-3-8-23(22)25)29(18-19)33(30,31)21-6-4-5-20(16-21)27-9-10-28-11-13-32-14-12-28;1-2/h2-8,15-16,18,26-27H,9-14,17H2,1H3;1-2H3.
What are the key properties of ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline?
ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 502.66 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(2-fluorophenyl)-4-(methylaminomethyl)pyrrol-1-yl]sulfonyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 145128048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).