N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

C23H23FN2O4S — CID 27826810

IUPACN-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-30-16-15-26(17-18-5-3-2-4-6-18)23(27)19-7-11-21(12-8-19)25-31(28,29)22-13-9-20(24)10-14-22/h2-14,25H,15-17H2,1H3
InChIKeyYBAIJWXVYZCSSP-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.92
Rot. Bonds9

About N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 27826810) has the molecular formula C23H23FN2O4S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
PubChem CID27826810
Molecular FormulaC23H23FN2O4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC NameN-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H23FN2O4S/c1-30-16-15-26(17-18-5-3-2-4-6-18)23(27)19-7-11-21(12-8-19)25-31(28,29)22-13-9-20(24)10-14-22/h2-14,25H,15-17H2,1H3
InChIKeyYBAIJWXVYZCSSP-UHFFFAOYSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-N-butyl-4-(N-phenylsulfamoyl)benzamide
CID 137796294
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
4-[[4-(sulfamoylamino)phenyl]sulfonylamino]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 60201578
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
4-(Benzenesulfonyl-methyl-amino)-N-cyclopentyl-benzamide
CID 1106330
N-cyclopropyl-4-[(phenylsulfonyl)amino]benzamide
CID 2983266
N-[(2-fluorophenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4781208
Ethyl 4-[4-[(4-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 5001502
4-(benzenesulfonamido)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 24978665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (CID 27826810) is N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is COCCN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is YBAIJWXVYZCSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4S/c1-30-16-15-26(17-18-5-3-2-4-6-18)23(27)19-7-11-21(12-8-19)25-31(28,29)22-13-9-20(24)10-14-22/h2-14,25H,15-17H2,1H3.
What are the key properties of N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 442.51 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 27826810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).