1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide

C24H22FN3O4S — CID 46798356

IUPAC1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O4S/c1-16-13-23(17(2)28(16)20-10-8-18(25)9-11-20)24(29)27-19-5-3-7-22(14-19)33(30,31)26-15-21-6-4-12-32-21/h3-14,26H,15H2,1-2H3,(H,27,29)
InChIKeyJFOHZJCHZCGHFJ-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.56
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide

1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 46798356) has the molecular formula C24H22FN3O4S and a molecular weight of 467.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID46798356
Molecular FormulaC24H22FN3O4S
Molecular Weight467.52 g/mol
Exact Mass467.13
IUPAC Name1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C24H22FN3O4S/c1-16-13-23(17(2)28(16)20-10-8-18(25)9-11-20)24(29)27-19-5-3-7-22(14-19)33(30,31)26-15-21-6-4-12-32-21/h3-14,26H,15H2,1-2H3,(H,27,29)
InChIKeyJFOHZJCHZCGHFJ-UHFFFAOYSA-N
XLogP4.56
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55381203
2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 55476541
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907
2-(difluoromethoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methoxybenzamide
CID 55342860
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55704580
N-(3,4-difluorophenyl)-2-fluoro-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 4115156
N-(3-cyanophenyl)-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 26775683
3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55728535
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
1-(4-fluorophenyl)-2,5-dimethyl-N-pyridin-4-ylpyrrole-3-carboxamide
CID 39954277

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide (CID 46798356) is 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is JFOHZJCHZCGHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4S/c1-16-13-23(17(2)28(16)20-10-8-18(25)9-11-20)24(29)27-19-5-3-7-22(14-19)33(30,31)26-15-21-6-4-12-32-21/h3-14,26H,15H2,1-2H3,(H,27,29).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 46798356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).