4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide

C25H26FN3O4S — CID 121141504

IUPAC4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cc2)C1
InChIInChI=1S/C25H26FN3O4S/c1-33-23-5-3-15-29(17-23)22-13-11-20(12-14-22)27-25(30)18-7-9-21(10-8-18)28-34(31,32)24-6-2-4-19(26)16-24/h2,4,6-14,16,23,28H,3,5,15,17H2,1H3,(H,27,30)
InChIKeyZSERCEXTPHZXIX-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.49
Rot. Bonds7

About 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide

4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide (PubChem CID 121141504) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
PubChem CID121141504
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC Name4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
SMILESCOC1CCCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cc2)C1
InChIInChI=1S/C25H26FN3O4S/c1-33-23-5-3-15-29(17-23)22-13-11-20(12-14-22)27-25(30)18-7-9-21(10-8-18)28-34(31,32)24-6-2-4-19(26)16-24/h2,4,6-14,16,23,28H,3,5,15,17H2,1H3,(H,27,30)
InChIKeyZSERCEXTPHZXIX-UHFFFAOYSA-N
XLogP4.49
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
CID 90595351
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595569
4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141499
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
CID 121141772
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 121141771

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide (CID 121141504) is 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide is COC1CCCN(c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)cc2)C1.
What is the InChIKey of 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
The InChIKey is ZSERCEXTPHZXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c1-33-23-5-3-15-29(17-23)22-13-11-20(12-14-22)27-25(30)18-7-9-21(10-8-18)28-34(31,32)24-6-2-4-19(26)16-24/h2,4,6-14,16,23,28H,3,5,15,17H2,1H3,(H,27,30).
What are the key properties of 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide?
4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide has a molecular weight of 483.57 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 121141504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).