5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C23H20F4N2O4S — CID 31166045

IUPAC5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C23H20F4N2O4S/c1-15-6-11-18(34(31,32)29-21-5-3-2-4-20(21)24)12-19(15)22(30)28-13-16-7-9-17(10-8-16)33-14-23(25,26)27/h2-12,29H,13-14H2,1H3,(H,28,30)
InChIKeyWNISGOKQUZQUPG-UHFFFAOYSA-N
MW496.48 g/mol
LogP4.81
Rot. Bonds8

About 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 31166045) has the molecular formula C23H20F4N2O4S and a molecular weight of 496.48 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID31166045
Molecular FormulaC23H20F4N2O4S
Molecular Weight496.48 g/mol
Exact Mass496.11
IUPAC Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C23H20F4N2O4S/c1-15-6-11-18(34(31,32)29-21-5-3-2-4-20(21)24)12-19(15)22(30)28-13-16-7-9-17(10-8-16)33-14-23(25,26)27/h2-12,29H,13-14H2,1H3,(H,28,30)
InChIKeyWNISGOKQUZQUPG-UHFFFAOYSA-N
XLogP4.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 24683131
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55869937
ethyl N-[2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]ethyl]carbamate
CID 56557791
propan-2-yl 2-[[5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56550971
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010401
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenylpropyl)benzamide
CID 43003232
N-(4-ethylphenyl)-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26697270
2-[2-(methanesulfonamido)phenyl]-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 86934968
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
N-cyclopropyl-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26693958

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 31166045) is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is WNISGOKQUZQUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O4S/c1-15-6-11-18(34(31,32)29-21-5-3-2-4-20(21)24)12-19(15)22(30)28-13-16-7-9-17(10-8-16)33-14-23(25,26)27/h2-12,29H,13-14H2,1H3,(H,28,30).
What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 496.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 31166045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).