N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide

C23H24FN3O5S — CID 25039846

IUPACN-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)c3ccc(F)cc3)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H24FN3O5S/c24-16-8-6-15(7-9-16)22(29)26(17-4-2-1-3-5-17)20-14-21(28)27(23(20)30)18-10-12-19(13-11-18)33(25,31)32/h6-13,17,20H,1-5,14H2,(H2,25,31,32)
InChIKeyPDCAFIGPZWKKPW-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.58
Rot. Bonds5

About N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide

N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide (PubChem CID 25039846) has the molecular formula C23H24FN3O5S and a molecular weight of 473.53 g/mol. Its IUPAC name is N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide
PubChem CID25039846
Molecular FormulaC23H24FN3O5S
Molecular Weight473.53 g/mol
Exact Mass473.14
IUPAC NameN-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)c3ccc(F)cc3)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H24FN3O5S/c24-16-8-6-15(7-9-16)22(29)26(17-4-2-1-3-5-17)20-14-21(28)27(23(20)30)18-10-12-19(13-11-18)33(25,31)32/h6-13,17,20H,1-5,14H2,(H2,25,31,32)
InChIKeyPDCAFIGPZWKKPW-UHFFFAOYSA-N
XLogP2.58
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23972519
N-cyclopentyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 25037158
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 25037934
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 25036502
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25036355
[4-[3-[cycloheptyl-(4-fluorobenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23774444
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 25042291
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
CID 23832372
N-cyclopentyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbenzamide
CID 23944547
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide
CID 25045748

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide?
The IUPAC name of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide (CID 25039846) is N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)c3ccc(F)cc3)C3CCCCC3)C2=O)cc1.
What is the InChIKey of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide?
The InChIKey is PDCAFIGPZWKKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5S/c24-16-8-6-15(7-9-16)22(29)26(17-4-2-1-3-5-17)20-14-21(28)27(23(20)30)18-10-12-19(13-11-18)33(25,31)32/h6-13,17,20H,1-5,14H2,(H2,25,31,32).
What are the key properties of N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide?
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide has a molecular weight of 473.53 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 25039846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).