3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide

C20H25FN2O3S — CID 4055507

IUPAC3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1F
InChIInChI=1S/C20H25FN2O3S/c1-5-23(6-2)27(25,26)19-13-16(9-12-18(19)21)20(24)22-17-10-7-15(8-11-17)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyZQOPOHRZCQUXEN-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.23
Rot. Bonds7

About 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide

3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 4055507) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
PubChem CID4055507
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1F
InChIInChI=1S/C20H25FN2O3S/c1-5-23(6-2)27(25,26)19-13-16(9-12-18(19)21)20(24)22-17-10-7-15(8-11-17)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyZQOPOHRZCQUXEN-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylsulfamoyl)-4-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 26654935
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16530056
3-(diethylsulfamoyl)-4-fluoro-N-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 55905014
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
[2-(4-chloroanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55316038
3-[(2-chlorophenyl)methylsulfamoyl]-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 3526066
3-[benzyl(ethyl)sulfamoyl]-N-(3-chlorophenyl)-4-fluorobenzamide
CID 4229430
3-(diethylsulfamoyl)-4-fluoro-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242937
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
N-(4-bromophenyl)-3-(dimethylsulfamoyl)-4-fluorobenzamide
CID 55792846
N-benzyl-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 26534788

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide (CID 4055507) is 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1F.
What is the InChIKey of 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is ZQOPOHRZCQUXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-5-23(6-2)27(25,26)19-13-16(9-12-18(19)21)20(24)22-17-10-7-15(8-11-17)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24).
What are the key properties of 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide?
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 392.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 4055507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).