4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide

C25H26FN3O4S — CID 55946709

IUPAC4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4)c(F)c3)cc2)cc1
InChIInChI=1S/C25H26FN3O4S/c1-2-33-21-10-7-19(8-11-21)28-34(31,32)22-12-5-18(6-13-22)25(30)27-20-9-14-24(23(26)17-20)29-15-3-4-16-29/h5-14,17,28H,2-4,15-16H2,1H3,(H,27,30)
InChIKeyIVTXAYYHAAJSGM-UHFFFAOYSA-N
MW483.57 g/mol
LogP4.88
Rot. Bonds8

About 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide

4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 55946709) has the molecular formula C25H26FN3O4S and a molecular weight of 483.57 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID55946709
Molecular FormulaC25H26FN3O4S
Molecular Weight483.57 g/mol
Exact Mass483.16
IUPAC Name4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4)c(F)c3)cc2)cc1
InChIInChI=1S/C25H26FN3O4S/c1-2-33-21-10-7-19(8-11-21)28-34(31,32)22-12-5-18(6-13-22)25(30)27-20-9-14-24(23(26)17-20)29-15-3-4-16-29/h5-14,17,28H,2-4,15-16H2,1H3,(H,27,30)
InChIKeyIVTXAYYHAAJSGM-UHFFFAOYSA-N
XLogP4.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 54.88
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

4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide
CID 55945183
4-[(4-ethoxyphenyl)sulfamoyl]-N-piperidin-1-ylbenzamide
CID 9271299
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
CID 17091477
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55946324
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 55890047
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
CID 2344490
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide (CID 55946709) is 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4)c(F)c3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is IVTXAYYHAAJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S/c1-2-33-21-10-7-19(8-11-21)28-34(31,32)22-12-5-18(6-13-22)25(30)27-20-9-14-24(23(26)17-20)29-15-3-4-16-29/h5-14,17,28H,2-4,15-16H2,1H3,(H,27,30).
What are the key properties of 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide?
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 483.57 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 55946709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).