1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide

C23H26FN3O3S — CID 55882020

IUPAC1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide
SMILESCN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C23H26FN3O3S/c1-27-14-6-11-21(27)26-31(29,30)20-10-5-9-19(16-20)25-22(28)23(12-2-3-13-23)17-7-4-8-18(24)15-17/h4-5,7-10,15-16H,2-3,6,11-14H2,1H3,(H,25,28)/b26-21+
InChIKeyZXUDTNPYLVNPTD-YYADALCUSA-N
MW443.54 g/mol
LogP4.09
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide

1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide (PubChem CID 55882020) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide
PubChem CID55882020
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC Name1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide
SMILESCN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C23H26FN3O3S/c1-27-14-6-11-21(27)26-31(29,30)20-10-5-9-19(16-20)25-22(28)23(12-2-3-13-23)17-7-4-8-18(24)15-17/h4-5,7-10,15-16H,2-3,6,11-14H2,1H3,(H,25,28)/b26-21+
InChIKeyZXUDTNPYLVNPTD-YYADALCUSA-N
XLogP4.09
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide
CID 78888521
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-methylsulfonylbenzamide
CID 51957722
5-fluoro-N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-1H-indole-2-carboxamide
CID 76868188
1-(3-fluorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)cyclopentane-1-carboxamide
CID 9453348
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-propan-2-ylbenzamide
CID 55881637
1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55882154
2-fluoro-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55880493
3-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1-oxo-4H-isochromene-3-carboxamide
CID 55881893
3-(3,5-dimethylpyrazol-1-yl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide
CID 55881257
4-(cyclopropylcarbamoylamino)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 55880367

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide (CID 55882020) is 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide is CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(c3cccc(F)c3)CCCC2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide?
The InChIKey is ZXUDTNPYLVNPTD-YYADALCUSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-27-14-6-11-21(27)26-31(29,30)20-10-5-9-19(16-20)25-22(28)23(12-2-3-13-23)17-7-4-8-18(24)15-17/h4-5,7-10,15-16H,2-3,6,11-14H2,1H3,(H,25,28)/b26-21+.
What are the key properties of 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide?
1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 55882020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).