N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide

C22H20F2N2O3S — CID 31282050

IUPACN-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C22H20F2N2O3S/c1-15-6-11-19(30(28,29)26-18-9-7-17(23)8-10-18)14-20(15)22(27)25-13-12-16-4-2-3-5-21(16)24/h2-11,14,26H,12-13H2,1H3,(H,25,27)
InChIKeyYFDJLKNVTUZMNJ-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.05
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide

N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 31282050) has the molecular formula C22H20F2N2O3S and a molecular weight of 430.48 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
PubChem CID31282050
Molecular FormulaC22H20F2N2O3S
Molecular Weight430.48 g/mol
Exact Mass430.12
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C22H20F2N2O3S/c1-15-6-11-19(30(28,29)26-18-9-7-17(23)8-10-18)14-20(15)22(27)25-13-12-16-4-2-3-5-21(16)24/h2-11,14,26H,12-13H2,1H3,(H,25,27)
InChIKeyYFDJLKNVTUZMNJ-UHFFFAOYSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 9473851
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 43019329
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
CID 43004196
N-[2-(2-fluorophenyl)ethyl]-5-(furan-2-ylmethylsulfamoyl)-2-methylbenzamide
CID 31282083
N-[(2-ethoxy-3-pyridinyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 38538539
propan-2-yl 2-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]acetate
CID 56536507
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide
CID 34494912

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide (CID 31282050) is N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NCCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is YFDJLKNVTUZMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3S/c1-15-6-11-19(30(28,29)26-18-9-7-17(23)8-10-18)14-20(15)22(27)25-13-12-16-4-2-3-5-21(16)24/h2-11,14,26H,12-13H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide?
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 430.48 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 31282050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).