2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide

C22H20ClFN2O4S — CID 24514466

IUPAC2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H20ClFN2O4S/c1-26(2)31(28,29)19-11-12-21(23)20(13-19)22(27)25-14-15-3-7-17(8-4-15)30-18-9-5-16(24)6-10-18/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyPLTNYMDZGZIMTA-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.45
Rot. Bonds7

About 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide

2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide (PubChem CID 24514466) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
PubChem CID24514466
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H20ClFN2O4S/c1-26(2)31(28,29)19-11-12-21(23)20(13-19)22(27)25-14-15-3-7-17(8-4-15)30-18-9-5-16(24)6-10-18/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyPLTNYMDZGZIMTA-UHFFFAOYSA-N
XLogP4.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]benzamide
CID 55894371
2-chloro-N-[(4-fluorophenyl)methyl]-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 27256751
2-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 34315456
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387544
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26119216
2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 8948233
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide (CID 24514466) is 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide?
The InChIKey is PLTNYMDZGZIMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-26(2)31(28,29)19-11-12-21(23)20(13-19)22(27)25-14-15-3-7-17(8-4-15)30-18-9-5-16(24)6-10-18/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide?
2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide has a molecular weight of 462.93 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(dimethylsulfamoyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 24514466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).