3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide

C22H28FN3O3S — CID 26654935

IUPAC3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1F
InChIInChI=1S/C22H28FN3O3S/c1-3-26(4-2)30(28,29)21-16-17(8-13-20(21)23)22(27)24-18-9-11-19(12-10-18)25-14-6-5-7-15-25/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,27)
InChIKeyUZKPRGYUQBHTNM-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.10
Rot. Bonds7

About 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide

3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 26654935) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID26654935
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1F
InChIInChI=1S/C22H28FN3O3S/c1-3-26(4-2)30(28,29)21-16-17(8-13-20(21)23)22(27)24-18-9-11-19(12-10-18)25-14-6-5-7-15-25/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,27)
InChIKeyUZKPRGYUQBHTNM-UHFFFAOYSA-N
XLogP4.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55905014
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 26753912
4-methoxy-3-methylsulfonyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 110424980
N-(4-acetylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26665148
4-[ethyl(ethylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100507619
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide (CID 26654935) is 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1F.
What is the InChIKey of 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is UZKPRGYUQBHTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-3-26(4-2)30(28,29)21-16-17(8-13-20(21)23)22(27)24-18-9-11-19(12-10-18)25-14-6-5-7-15-25/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,27).
What are the key properties of 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide?
3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 433.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 26654935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).