N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C20H22ClFN2O4S — CID 46522344

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H22ClFN2O4S/c1-24(13-17-18(21)8-3-9-19(17)22)20(25)14-5-2-7-16(11-14)29(26,27)23-12-15-6-4-10-28-15/h2-3,5,7-9,11,15,23H,4,6,10,12-13H2,1H3
InChIKeyWIDZVYSXASJNPG-UHFFFAOYSA-N
MW440.92 g/mol
LogP3.21
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46522344) has the molecular formula C20H22ClFN2O4S and a molecular weight of 440.92 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID46522344
Molecular FormulaC20H22ClFN2O4S
Molecular Weight440.92 g/mol
Exact Mass440.10
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H22ClFN2O4S/c1-24(13-17-18(21)8-3-9-19(17)22)20(25)14-5-2-7-16(11-14)29(26,27)23-12-15-6-4-10-28-15/h2-3,5,7-9,11,15,23H,4,6,10,12-13H2,1H3
InChIKeyWIDZVYSXASJNPG-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.92
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045341
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41022421
N-[3-[benzyl(methyl)amino]propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43045382
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-[(2-chloro-6-fluorophenyl)methyl]-5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 36556440
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24639119
3-(oxolan-2-ylmethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364440

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 46522344) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is WIDZVYSXASJNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O4S/c1-24(13-17-18(21)8-3-9-19(17)22)20(25)14-5-2-7-16(11-14)29(26,27)23-12-15-6-4-10-28-15/h2-3,5,7-9,11,15,23H,4,6,10,12-13H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 440.92 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46522344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).